5337997 -OEChem-10061700323D 29 30 0 0 0 0 0 0 0999 V2000 -3.5952 0.6872 0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 1.5027 0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9076 -2.2633 -0.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0807 0.4039 0.0818 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7584 2.1512 0.2151 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9161 -0.1974 -0.0661 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3209 -0.7500 -0.0977 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9152 0.8987 0.1103 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3306 -0.3725 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6985 -0.2988 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4335 -1.0548 0.4652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4703 0.9401 -0.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2391 -1.5239 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0352 -1.0307 -0.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8009 0.0619 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6763 -0.4244 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7131 1.5704 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8161 0.8881 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6359 -1.2987 -0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 0.1104 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3433 -2.0768 0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 1.4975 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 -2.4732 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4199 -2.0411 -0.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5278 -0.9666 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8179 2.5907 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0963 1.1969 0.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 0.8095 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6767 0.8853 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 18 1 0 0 0 0 2 29 1 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 28 1 0 0 0 0 7 20 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 20 1 0 0 0 0 11 16 1 0 0 0 0 11 21 1 0 0 0 0 12 17 2 0 0 0 0 12 22 1 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 15 19 2 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 19 24 1 0 0 0 0 20 27 1 0 0 0 0 M CHG 2 4 -1 8 1 M END > DB13855 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YCWSUKQGVSGXJO-NTUHNPAUSA-N/SDF?record_type=3d > OC1=CC=C(C=C1)C(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O > InChI=1S/C12H9N3O5/c16-9-3-1-8(2-4-9)12(17)14-13-7-10-5-6-11(20-10)15(18)19/h1-7,16H,(H,14,17)/b13-7+ > YCWSUKQGVSGXJO-NTUHNPAUSA-N > C12H9N3O5 > 275.22 > 275.054220402 > 5 > 29 > 25.998809656245335 > 1 > 2 > 0 > 1 > 4-hydroxy-N'-[(1E)-(5-nitrofuran-2-yl)methylidene]benzohydrazide > 2.59 > 1.7490912639999996 > -3.42 > 0 > 2 > 0 > 11.038650702196108 > 8.326515824764302 > -1.7356855512212137 > 117.97000000000001 > 68.1811 > 4 > 1 > 1.05e-01 g/l > akabar > 0 $$$$