2-[(4S)-4-[(4-methoxyphenyl)amino]-4-(4-nitrophenyl)-2-oxidanylidene-butyl]isoindole-1,3-dione

Systemtic Name: 2-[(4S)-4-[(4-methoxyphenyl)amino]-4-(4-nitrophenyl)-2-oxidanylidene-butyl]isoindole-1,3-dione Openeye Name: 2-[(4S)-4-(4-methoxyanilino)-4-(4-nitrophenyl)-2-oxo-butyl]isoindoline-1,3-dione CAS Name: 2-[(4S)-4-(4-methoxyanilino)-4-(4-nitrophenyl)-2-oxobutyl]isoindole-1,3-dione IUPAC Name: 2-[(4S)-4-(4-methoxyanilino)-4-(4-nitrophenyl)-2-oxobutyl]isoindole-1,3-dione Traditional Name: 2-[(4S)-2-keto-4-(4-nitrophenyl)-4-(p-anisidino)butyl]isoindoline-1,3-quinone Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(CC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N[C@@H](CC(=O)CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O6/c1-34-20-12-8-17(9-13-20)26-23(16-6-10-18(11-7-16)28(32)33)14-19(29)15-27-24(30)21-4-2-3-5-22(21)25(27)31/h2-13,23,26H,14-15H2,1H3/t23-/m0/s1