3899541 -OEChem-10051720213D 22 23 0 0 0 0 0 0 0999 V2000 4.4547 -1.3242 0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4547 1.3241 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2185 -1.7492 1.0975 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2187 1.7493 -1.0969 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2173 -1.7503 -1.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2170 1.7503 1.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1455 -1.3860 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 1.3860 -0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7014 -1.4367 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7014 1.4367 0.0005 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9279 -0.6958 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 0.6958 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -1.3992 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 1.3992 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 -0.6981 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4839 0.6980 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -0.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 0.7549 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2736 -2.4871 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 2.4872 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1208 -2.4017 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1209 2.4017 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 8 22 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 M CHG 4 3 -1 4 -1 9 1 10 1 M END > DB03759 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RWVIMCIPOAXUDG-UHFFFAOYSA-N/SDF?record_type=3d > [O-][N+](=O)C1=C(C=C2NC(=O)C(=O)NC2=C1)[N+]([O-])=O > InChI=1S/C8H4N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H,(H,9,13)(H,10,14) > RWVIMCIPOAXUDG-UHFFFAOYSA-N > C8H4N4O6 > 252.142 > 252.013083865 > 6 > 22 > 20.02389313990798 > 1 > 2 > 0 > 1 > 6,7-dinitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione > 0.43 > 0.5115747886666666 > -3.44 > 0 > 2 > 0 > 11.895721155385065 > 9.529245802633358 > -6.210979305789252 > 144.48 > 57.576200000000014 > 2 > 1 > 9.12e-02 g/l > DNQX > 0 $$$$