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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] (3S)-1-[(2-methylphenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] (3S)-1-[(2-methylbenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(2-methylphenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] (3S)-1-[(2-methylbenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-(o-toluoylamino)pyrrolidine-3-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NN2C[C@H](CC2=O)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-13-5-2-3-8-17(13)20(27)22-23-11-15(10-19(23)26)21(28)31-12-18(25)14-6-4-7-16(9-14)24(29)30/h2-9,15H,10-12H2,1H3,(H,22,27)/t15-/m0/s1