3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-7-nitro-indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-7-nitro-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholinopropyl)-7-nitro-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-[3-(4-morpholinyl)propyl]-7-nitro-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-7-nitroindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholinopropyl)-7-nitro-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C27H25N5O5 MolecularWeight: 499.5179

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCN2C=C(C3=C2C(=CC=C3)[N+](=O)[O-])C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1COCCN1CCCN2C=C(C3=C2C(=CC=C3)[N+](=O)[O-])C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C27H25N5O5/c33-26-23(19-15-28-21-7-2-1-5-17(19)21)24(27(34)29-26)20-16-31(10-4-9-30-11-13-37-14-12-30)25-18(20)6-3-8-22(25)32(35)36/h1-3,5-8,15-16,28H,4,9-14H2,(H,29,33,34)