[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] (3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] (3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)COC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)COC(=O)[C@H]2CC(=O)N(C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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