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

Systemtic Name: 3-[[(3S)-1-(4-nitrophenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]benzoate Openeye Name: 3-[[(3S)-1-(4-nitrophenyl)-5-oxo-pyrrolidine-3-carbonyl]amino]benzoate CAS Name: 3-[[[(3S)-1-(4-nitrophenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(3S)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate Traditional Name: 3-[[(3S)-5-keto-1-(4-nitrophenyl)pyrrolidine-3-carbonyl]amino]benzoate Formula: C18H14N3O6- MolecularWeight: 368.32026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6/c22-16-9-12(10-20(16)14-4-6-15(7-5-14)21(26)27)17(23)19-13-3-1-2-11(8-13)18(24)25/h1-8,12H,9-10H2,(H,19,23)(H,24,25)/p-1/t12-/m0/s1