5,6-dimethoxy-1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5,6-dimethoxy-1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]indole-2,3-dione Openeye Name: 5,6-dimethoxy-1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]indoline-2,3-dione CAS Name: 5,6-dimethoxy-1-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]indole-2,3-dione IUPAC Name: 5,6-dimethoxy-1-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]indole-2,3-dione Traditional Name: 5,6-dimethoxy-1-[[4-(4-nitrophenyl)piperazino]methyl]isatin Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=O)N2CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=O)N2CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6/c1-30-18-11-16-17(12-19(18)31-2)24(21(27)20(16)26)13-22-7-9-23(10-8-22)14-3-5-15(6-4-14)25(28)29/h3-6,11-12H,7-10,13H2,1-2H3