3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitro-phenyl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[5-(4-methyl-1-piperazinyl)-2-nitrophenyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[5-(4-methylpiperazino)-2-nitro-phenyl]-3-pyrroline-2,5-quinone Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H21N5O4/c1-26-8-10-27(11-9-26)14-6-7-19(28(31)32)16(12-14)20-21(23(30)25-22(20)29)17-13-24-18-5-3-2-4-15(17)18/h2-7,12-13,24H,8-11H2,1H3,(H,25,29,30)