propan-2-yl 4-[[(3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate

Systemtic Name: propan-2-yl 4-[[(3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: isopropyl 4-[[(3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carbonyl]amino]benzoic acid isopropyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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