11 11 0 0000 0 0 0 0 0999 V2000 5.9814 -4.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.3175 -3.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9814 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9896 -3.4573 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.3257 -2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9896 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.3257 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9918 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.3279 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.1544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1.9918 -2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 11 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 M END > InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10) > QLNWXBAGRTUKKI-UHFFFAOYSA-N > 1/1/N:1,7,6,8,11,2,5,9,4,3,10/rA:11nCCONCCCCCOC/rB:s1;d2;s2;s4;d5;s6;d7;s8;s9;s5d9;/rC:5.9814,-4.6057,0;5.3175,-3.4573,0;5.9814,-2.3029,0;3.9896,-3.4573,0;3.3257,-2.3029,0;3.9896,-1.1544,0;3.3257,0,0;1.9918,0,0;1.3279,-1.1544,0;0,-1.1544,0;1.9918,-2.3029,0; > C8 H9 N O2 > 151.1626 > CC(NC1C=C(O)C=CC=1)=O > 11626 $$$$