(3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylic acid

Systemtic Name: (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxidanylidene-1-phenyl-pyrrolidine-3-carboxylic acid Openeye Name: (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenyl-pyrrolidine-3-carboxylic acid CAS Name: (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenyl-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-phenylpyrrolidine-3-carboxylic acid Traditional Name: (3S,4S,5S)-4-carbomethoxy-2-keto-5-(4-nitrophenyl)-1-phenyl-pyrrolidine-3-carboxylic acid Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N(C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C(=O)N([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H16N2O7/c1-28-19(25)14-15(18(23)24)17(22)20(12-5-3-2-4-6-12)16(14)11-7-9-13(10-8-11)21(26)27/h2-10,14-16H,1H3,(H,23,24)/t14-,15-,16+/m0/s1