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

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-1-(3-nitrophenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] (3S)-1-(3-nitrophenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-(3-nitrophenyl)-5-oxo-3-pyrrolidinecarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(3-nitrophenyl)pyrrolidine-3-carboxylic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-13-6-7-18(14(2)8-13)22-19(25)12-30-21(27)15-9-20(26)23(11-15)16-4-3-5-17(10-16)24(28)29/h3-8,10,15H,9,11-12H2,1-2H3,(H,22,25)/t15-/m0/s1