13 13 0 0000 0 0 0 0 0999 V2000 3.9912 -5.7564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 4.6554 -4.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.9838 -4.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.9912 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6554 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.9912 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6568 -1.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.9926 0.0000 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 1.9926 -2.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.6568 -3.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.6642 -2.3038 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0.0000 -1.1489 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0.0000 -3.4527 0.0000 O 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 4 10 2 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 2 0 M CHG 2 11 1 12 -1 M END > InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11) > MDOJTZQKHMAPBK-UHFFFAOYSA-N > 1/1/N:5,6,10,4,7,9,2,8,1,11,3,12,13/E:(12,13)/CRV:10.5/rA:13nNCOCCCCICCN+O-O/rB:s1;d2;s2;s4;d5;s6;s7;d7;d4s9;s9;s11;d11;/rC:3.9912,-5.7564,0;4.6554,-4.6075,0;5.9838,-4.6075,0;3.9912,-3.4527,0;4.6554,-2.3038,0;3.9912,-1.1489,0;2.6568,-1.1489,0;1.9926,0,0;1.9926,-2.3038,0;2.6568,-3.4527,0;.6642,-2.3038,0;0,-1.1489,0;0,-3.4527,0; > C7 H5 I N2 O3 > 292.0307 > NC(C1=CC([N+](=O)[O-])=C(I)C=C1)=O > 7971834 $$$$