13 14 0 0000 0 0 0 0 0999 V2000 0.0000 -1.3301 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 1.1516 -1.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1516 -3.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3031 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3031 -5.3202 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 3.4547 -3.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4547 -1.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3031 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3031 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.6063 -1.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.7578 -1.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7578 -3.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6063 -3.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 8 2 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 1 0 6 13 2 0 7 8 1 0 7 10 2 0 8 9 1 0 10 11 1 0 11 12 2 0 12 13 1 0 M END > InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H > UXZFQZANDVDGMM-UHFFFAOYSA-N > 1/0/N:12,13,11,3,6,4,2,7,8,5,1,10,9/rA:13nICCCICCCONCCC/rB:s1;s2;d3;s4;s4;s6;d2s7;s8;d7;s10;d11;d6s12;/rC:0,-1.3301,0;1.1516,-1.998,0;1.1516,-3.328,0;2.3031,-3.9902,0;2.3031,-5.3202,0;3.4547,-3.328,0;3.4547,-1.998,0;2.3031,-1.3301,0;2.3031,0,0;4.6063,-1.3301,0;5.7578,-1.998,0;5.7578,-3.328,0;4.6063,-3.9902,0; > C9 H5 I2 N O > 396.951 > IC1=C(O)C2=NC=CC=C2C(I)=C1 > 3597 $$$$