[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 1-(benzenesulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-pyrrolidinecarboxylic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 1-(benzenesulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-besylpyrrolidine-2-carboxylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O7S/c22-18(14-8-10-15(11-9-14)21(24)25)13-28-19(23)17-7-4-12-20(17)29(26,27)16-5-2-1-3-6-16/h1-3,5-6,8-11,17H,4,7,12-13H2