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

Systemtic Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-5-nitro-indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholinopropyl)-5-nitro-indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[1-[3-(4-morpholinyl)propyl]-5-nitro-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholin-4-ylpropyl)-5-nitroindol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[1-(3-morpholinopropyl)-5-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/c33-26-24(20-15-28-22-5-2-1-4-18(20)22)25(27(34)29-26)21-16-31(9-3-8-30-10-12-37-13-11-30)23-7-6-17(32(35)36)14-19(21)23/h1-2,4-7,14-16,28H,3,8-13H2,(H,29,33,34)