3-(1H-indol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-1-[(E)-octadec-9-enoyl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-1-[(E)-octadec-9-enoyl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-1-[(E)-octadec-9-enoyl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-(1-methyl-6-nitro-3-indolyl)-1-[(E)-1-oxooctadec-9-enyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-1-[(E)-octadec-9-enoyl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-(1-methyl-6-nitro-indol-3-yl)-1-[(E)-octadec-9-enoyl]-3-pyrroline-2,5-quinone Formula: C39H46N4O5 MolecularWeight: 650.80634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)N1C(=O)C(=C(C1=O)C2=CN(C3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CNC5=CC=CC=C54

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)N1C(=O)C(=C(C1=O)C2=CN(C3=C2C=CC(=C3)[N+](=O)[O-])C)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C39H46N4O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35(44)42-38(45)36(31-26-40-33-21-19-18-20-29(31)33)37(39(42)46)32-27-41(2)34-25-28(43(47)48)23-24-30(32)34/h10-11,18-21,23-27,40H,3-9,12-17,22H2,1-2H3/b11-10+