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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC(CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N2C[C@H](CC2=O)C(=O)OCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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