2-[[4-(1-ethanoyl-5-nitro-2-oxidanyl-indol-3-yl)carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1-ethanoyl-5-nitro-2-oxidanyl-indol-3-yl)carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1-acetyl-2-hydroxy-5-nitro-indole-3-carbonyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(1-acetyl-2-hydroxy-5-nitro-3-indolyl)-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1-acetyl-2-hydroxy-5-nitroindole-3-carbonyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[4-(1-acetyl-2-hydroxy-5-nitro-indole-3-carbonyl)benzyl]isoindoline-1,3-quinone Formula: C26H17N3O7 MolecularWeight: 483.42908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1O)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1O)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H17N3O7/c1-14(30)28-21-11-10-17(29(35)36)12-20(21)22(26(28)34)23(31)16-8-6-15(7-9-16)13-27-24(32)18-4-2-3-5-19(18)25(27)33/h2-12,34H,13H2,1H3