phenacyl (3S)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: phenacyl (3S)-1-[(4-nitrophenyl)carbonylamino]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: phenacyl (3S)-1-[(4-nitrobenzoyl)amino]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[(4-nitrophenyl)-oxomethyl]amino]-5-oxo-3-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (3S)-1-[(4-nitrobenzoyl)amino]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[(4-nitrobenzoyl)amino]pyrrolidine-3-carboxylic acid phenacyl ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7/c24-17(13-4-2-1-3-5-13)12-30-20(27)15-10-18(25)22(11-15)21-19(26)14-6-8-16(9-7-14)23(28)29/h1-9,15H,10-12H2,(H,21,26)/t15-/m0/s1