17 17 0 0000 0 0 0 0 0999 V2000 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2868 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.4750 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2868 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.5724 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8579 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 10 16 1 0 16 17 1 0 M END > InChI=1S/C13H16INO2/c1-2-3-4-5-8-17-13(16)11-9-10(14)6-7-12(11)15/h3-4,6-7,9H,2,5,8,15H2,1H3/b4-3- > KJYGJPOLIBEYPT-ARJAWSKDSA-N > 1/0/N:1,2,3,4,5,14,15,6,11,12,10,16,8,13,17,9,7/rA:17nCCCCCCOCOCCCICCCN/rB:s1;s2;d3;s4;s5;s6;s7;d8;s8;d10;s11;s12;d12;s14;s10d15;s16;/rC:.7145,-.4125,0;.7145,-1.2375,0;0,-1.65,0;0,-2.475,0;.7145,-2.8875,0;1.4289,-2.475,0;2.1434,-2.8875,0;2.8579,-2.475,0;2.8579,-1.65,0;3.5724,-2.8875,0;4.2868,-2.475,0;5.0013,-2.8875,0;5.7158,-2.475,0;5.0013,-3.7125,0;4.2868,-4.125,0;3.5724,-3.7125,0;2.8579,-4.125,0; > C13 H16 I N O2 > 345.1761 > CC/C=C\CCOC(C1C(N)=CC=C(I)C=1)=O > 23959961 $$$$