2-[[5-methyl-1-[4-nitro-2-(phenylcarbonyl)phenyl]pyrrol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[5-methyl-1-[4-nitro-2-(phenylcarbonyl)phenyl]pyrrol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[1-(2-benzoyl-4-nitro-phenyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[1-(2-benzoyl-4-nitrophenyl)-5-methyl-2-pyrrolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[1-(2-benzoyl-4-nitrophenyl)-5-methylpyrrol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[1-(2-benzoyl-4-nitro-phenyl)-5-methyl-pyrrol-2-yl]methyl]isoindoline-1,3-quinone Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=CC=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H19N3O5/c1-17-11-12-20(16-28-26(32)21-9-5-6-10-22(21)27(28)33)29(17)24-14-13-19(30(34)35)15-23(24)25(31)18-7-3-2-4-8-18/h2-15H,16H2,1H3