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

Systemtic Name: methyl 4-[[(3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C19H17N3O6/c1-28-19(25)12-2-4-14(5-3-12)20-18(24)13-10-17(23)21(11-13)15-6-8-16(9-7-15)22(26)27/h2-9,13H,10-11H2,1H3,(H,20,24)/t13-/m0/s1