[2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 5-nitro-2-phenylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylidenepyrrolidin-1-yl)ethyl] 5-nitro-2-phenylsulfanyl-benzoate Openeye Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-nitro-2-phenylsulfanyl-benzoate CAS Name: 5-nitro-2-(phenylthio)benzoic acid [2-oxo-2-(2-oxo-1-pyrrolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 5-nitro-2-phenylsulfanylbenzoate Traditional Name: 5-nitro-2-(phenylthio)benzoic acid [2-keto-2-(2-ketopyrrolidino)ethyl] ester Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O6S/c22-17-7-4-10-20(17)18(23)12-27-19(24)15-11-13(21(25)26)8-9-16(15)28-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2