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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
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Found 2586 results

Search term: C22H21N5O4 (Found by molecular formula)
12345
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
950623
InChI=1/C22H21N5O4/c1-25-20-19(21(29)26(2)22(25)30)27(14-23-20)12-18(28)24-16-8-10-17(11-9-16)31-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,24,28)
C22H21N5O4419.4332352000
571562
InChI=1/C22H21N5O4/c1-25-19-18(20(28)26(2)22(25)29)27(12-14-6-4-3-5-7-14)21(24-19)23-11-15-8-9-16-17(10-15)31-13-30-16/h3-10H,11-13H2,1-2H3,(H,23,24)
C22H21N5O4419.4332271800
11969147

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-3,5,7-9,11,15,23H,4,6,10,12-13H2,(H,24,28)
C22H21N5O4419.4332272000
11888634

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c23-19-16(21(28)24-12-14-5-3-9-30-14)11-17-20(27(19)13-15-6-4-10-31-15)25-18-7-1-2-8-26(18)22(17)29/h1-2,4,6-8,10-11,14,23H,3,5,9,12-13H2,(H,24,28)
C22H21N5O4419.4332252000
2221006
InChI=1/C22H21N5O4/c1-14-8-6-7-11-17(14)24-22(26-20(30)15-9-4-3-5-10-15)27-21-23-16(12-18(28)25-21)13-19(29)31-2/h3-12H,13H2,1-2H3,(H3,23,24,25,26,27,28,30)
C22H21N5O4419.43324251800
1674952
InChI=1/C22H21N5O4/c1-3-4-5-15-6-8-16(9-7-15)26-24-18-12-14(2)17(13-19(18)25-26)23-22(28)20-10-11-21(31-20)27(29)30/h6-13H,3-5H2,1-2H3,(H,23,28)
C22H21N5O4419.4332241600
2495184
InChI=1/C22H21N5O4/c1-14-5-3-7-27-18(14)23-19-15(20(27)28)13-16(24(19)2)21(29)25-8-10-26(11-9-25)22(30)17-6-4-12-31-17/h3-7,12-13H,8-11H2,1-2H3
C22H21N5O4419.4332231500
919019
InChI=1/C22H21N5O4/c1-25-18-19(24-21(25)23-11-15-8-9-16-17(10-15)31-13-30-16)26(2)22(29)27(20(18)28)12-14-6-4-3-5-7-14/h3-10H,11-13H2,1-2H3,(H,23,24)
C22H21N5O4419.4332211300
4649990

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c1-13-18(20(28)26-16-6-4-5-7-17(16)30-2)19(27-22(25-13)23-12-24-27)14-8-10-15(11-9-14)21(29)31-3/h4-12,19H,1-3H3,(H,26,28)(H,23,24,25)
C22H21N5O4419.4332211300
2491811

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c1-4-30-20-15(28-2)9-13(10-16(20)29-3)17-14(11-23)21(24)31-22-18(17)19(26-27-22)12-5-7-25-8-6-12/h5-10,17H,4,24H2,1-3H3,(H,26,27)
C22H21N5O4419.4332201300
1446577
InChI=1/C22H21N5O4/c1-29-9-8-24-22(28)18-19-21(26-15-5-3-2-4-14(15)25-19)27(20(18)23)11-13-6-7-16-17(10-13)31-12-30-16/h2-7,10H,8-9,11-12,23H2,1H3,(H,24,28)
C22H21N5O4419.4332201000
1900124
InChI=1/C22H21N5O4/c1-13-7-3-5-9-16(13)24-22-26-18(25-21(23)27-22)12-30-20(28)19-15(11-29-2)14-8-4-6-10-17(14)31-19/h3-10H,11-12H2,1-2H3,(H3,23,24,25,26,27)
C22H21N5O4419.4332191500
3351297
InChI=1/C22H21N5O4/c1-12-6-5-9-27-19(12)25-20-15(22(27)30)11-17(26(20)3)21(29)24-16-10-14(23-13(2)28)7-8-18(16)31-4/h5-11H,1-4H3,(H,23,28)(H,24,29)
C22H21N5O4419.43324191200
5016411

Double-bond stereo
InChI=1/C22H21N5O4/c1-13-5-4-6-15(9-13)23-19(28)12-27-20(29)16(24-21(27)30)10-14-7-8-17-18(11-14)26(3)22(31)25(17)2/h4-11H,12H2,1-3H3,(H,23,28)(H,24,30)/b16-10+
C22H21N5O4419.4332191000
1538567
InChI=1/C22H21N5O4/c1-26-20-18(21(29)27(2)22(26)30)24-19(25-20)15-8-10-16(11-9-15)31-13-17(28)23-12-14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3,(H,23,28)(H,24,25)
C22H21N5O4419.4332181300
575837
InChI=1/C22H21N5O4/c1-29-10-4-9-24-22(28)18-19-21(26-15-6-3-2-5-14(15)25-19)27(20(18)23)13-7-8-16-17(11-13)31-12-30-16/h2-3,5-8,11H,4,9-10,12,23H2,1H3,(H,24,28)
C22H21N5O4419.4332181500
1428880

Double-bond stereo
InChI=1/C22H21N5O4/c1-15-4-2-6-27-19(15)25-20(26-7-10-30-11-8-26)18(22(27)29)12-16(13-23)21(28)24-14-17-5-3-9-31-17/h2-6,9,12H,7-8,10-11,14H2,1H3,(H,24,28)/b16-12+
C22H21N5O4419.4332181100
4729274

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C22H21N5O4/c1-3-31-21(30)14-7-9-16(10-8-14)26-20(29)18-13(2)25-22-23-12-24-27(22)19(18)15-5-4-6-17(28)11-15/h4-12,19,28H,3H2,1-2H3,(H,26,29)(H,23,24,25)
C22H21N5O4419.4332171000
2811318
InChI=1/C22H21N5O4/c1-13-5-7-14(8-6-13)20-19-18(24(3)22(29)25(4)21(19)28)12-26(20)17-11-15(27(30)31)9-10-16(17)23-2/h5-12,23H,1-4H3
C22H21N5O4419.43324171200
7899436

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C22H21N5O4/c1-31-21-8-7-15(9-17(21)13-26-14-18(12-24-26)27(29)30)11-23-25-22(28)20-10-19(20)16-5-3-2-4-6-16/h2-9,11-12,14,19-20H,10,13H2,1H3,(H,25,28)/b23-11+
C22H21N5O4419.4332171100
12345

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