17 18 0 0000 0 0 0 0 0999 V2000 2.0000 -2.5000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 2 5 1 0 2 6 1 0 3 11 2 0 4 7 1 0 4 8 1 0 4 11 1 0 5 7 1 0 5 9 1 0 6 8 1 0 6 10 1 0 11 12 1 0 12 13 2 0 12 14 1 0 13 15 1 0 14 16 2 0 15 17 2 0 16 17 1 0 M END > 12 13 8 12 14 8 13 15 8 14 16 8 15 17 8 16 17 8 5 9 3 6 10 3 > InChI=1S/C13H16INO2/c1-9-7-15(8-10(2)17-9)13(16)11-3-5-12(14)6-4-11/h3-6,9-10H,7-8H2,1-2H3 > MNFOEQCBQZQOTM-UHFFFAOYSA-N > 1/0/N:9,10,13,14,15,16,7,8,5,6,12,17,11,1,4,3,2/E:(1,2)(3,4)(5,6)(7,8)(9,10)/rA:33cIOONCCCCCCCCCCCCCHHHHHHHHHHHHHHHH/rB:;;;s2;s2;s4s5;s4s6;s5;s6;d3s4;s11;d12;s12;s13;d14;s1d15s16;s5;s6;s7;s7;s8;s8;s9;s9;s9;s10;s10;s10;s13;s14;s15;s16;/rC:2,-2.5,0;5.4641,2.5,0;6.3301,-1,0;5.4641,.5,0;4.5981,2,0;6.3301,2,0;4.5981,1,0;6.3301,1,0;3.7321,2.5,0;7.1962,2.5,0;5.4641,-.5,0;4.5981,-1,0;4.5981,-2,0;3.7321,-.5,0;3.7321,-2.5,0;2.866,-1,0;2.866,-2,0;4.5981,2.62,0;6.3301,2.62,0;3.9875,1.1077,0;4.386,.4174,0;6.5422,.4174,0;6.9407,1.1077,0;3.4221,1.9631,0;3.1951,2.81,0;4.0421,3.0369,0;6.8862,3.0369,0;7.7331,2.81,0;7.5062,1.9631,0;5.135,-2.31,0;3.7321,.12,0;3.7321,-3.12,0;2.3291,-.69,0; > C13 H16 I N O2 > 345.1761 > IC1C([H])=C([H])C(=C([H])C=1[H])C(N1C([H])([H])C([H])(C([H])([H])[H])OC([H])(C([H])([H])[H])C1([H])[H])=O > 2234043 $$$$