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

Systemtic Name: (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3S,4S,5S)-4-methoxycarbonyl-5-(4-nitrophenyl)-2-oxo-1-(p-tolyl)pyrrolidine-3-carboxylic acid CAS Name: (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3S,4S,5S)-4-methoxycarbonyl-1-(4-methylphenyl)-5-(4-nitrophenyl)-2-oxopyrrolidine-3-carboxylic acid Traditional Name: (3S,4S,5S)-4-carbomethoxy-2-keto-5-(4-nitrophenyl)-1-(p-tolyl)pyrrolidine-3-carboxylic acid Formula: C20H18N2O7 MolecularWeight: 398.36612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C(C2=O)C(=O)O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@H]([C@@H](C2=O)C(=O)O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-11-3-7-13(8-4-11)21-17(12-5-9-14(10-6-12)22(27)28)15(20(26)29-2)16(18(21)23)19(24)25/h3-10,15-17H,1-2H3,(H,24,25)/t15-,16-,17+/m0/s1