5327686 -OEChem-10061700033D 46 50 0 0 0 0 0 0 0999 V2000 0.0927 -4.0217 1.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 -1.9367 1.3952 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2665 2.0668 1.7224 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8951 1.6036 -0.3292 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0009 -1.3060 -2.0395 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1608 1.3811 -1.7033 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 -3.2743 1.4926 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0731 1.5130 0.6139 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4765 -1.5344 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7156 -1.9423 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9148 -1.3349 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3346 -0.0884 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5372 -0.7265 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4788 -0.5992 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 1.2025 0.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 2.1062 -0.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -1.8742 -1.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8841 0.0538 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8068 -3.2104 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8143 -2.1887 1.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7851 -0.0900 1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6605 0.1356 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8227 1.6905 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6657 -1.4388 -3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8942 3.4789 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8848 0.7582 0.4201 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7451 1.9267 -2.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9628 0.6486 1.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9124 3.0612 1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 3.9399 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2577 -2.4711 -2.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0993 -0.6777 -2.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0773 -0.1669 2.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4339 -4.0349 2.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 0.2053 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4096 1.0193 2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6351 -1.9166 -3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 -2.0543 -3.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -0.4412 -3.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 4.1683 -1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6899 2.4093 -2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9275 1.1220 -3.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 2.6498 -3.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1238 1.1272 2.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5657 3.4432 2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5002 5.0007 1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 24 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 27 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 34 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 17 2 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 20 1 0 0 0 0 12 15 1 0 0 0 0 12 18 2 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 2 0 0 0 0 16 25 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 21 28 2 0 0 0 0 21 33 1 0 0 0 0 22 26 2 0 0 0 0 22 35 1 0 0 0 0 23 29 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 30 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > DB05608 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OVSKGTONMLKNPZ-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(C2=CC=CC=C12)C1=C(C(=O)NC1=O)C1=CN(C)C2=CC(=CC=C12)[N+]([O-])=O > InChI=1S/C22H16N4O4/c1-24-10-15(13-5-3-4-6-17(13)24)19-20(22(28)23-21(19)27)16-11-25(2)18-9-12(26(29)30)7-8-14(16)18/h3-11H,1-2H3,(H,23,27,28) > OVSKGTONMLKNPZ-UHFFFAOYSA-N > C22H16N4O4 > 400.394 > 400.117155011 > 4 > 46 > 41.108499043285406 > 1 > 1 > 0 > 1 > 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione > 3.67 > 3.285132972333334 > -4.03 > 0 > 5 > 0 > 9.711756646639435 > -4.882589817155744 > 99.17 > 110.54249999999999 > 3 > 1 > 3.73e-02 g/l > 3-(1-methyl-6-nitroindol-3-yl)-4-(1-methylindol-3-yl)-1H-pyrrole-2,5-dione > 0 $$$$