[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3S)-5-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (3S)-5-oxo-1-phenyl-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-phenyl-3-pyrrolidinecarboxylic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (3S)-5-oxo-1-phenylpyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-phenyl-pyrrolidine-3-carboxylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-13-7-8-15(10-17(13)23(27)28)21-18(24)12-29-20(26)14-9-19(25)22(11-14)16-5-3-2-4-6-16/h2-8,10,14H,9,11-12H2,1H3,(H,21,24)/t14-/m0/s1