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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)CCC2=CC=CC=C2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c25-19(22-17-8-4-5-9-18(17)24(28)29)14-30-21(27)16-12-20(26)23(13-16)11-10-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,22,25)/t16-/m0/s1