(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-pyrrolidin-1-yl-ethyl) 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-oxo-2-pyrrolidin-1-yl-ethyl) 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-2-pyrrolidin-1-ylethyl) 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-keto-2-pyrrolidino-ethyl) ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-22-12-5-4-10(8-11(12)16(19)20)14(18)21-9-13(17)15-6-2-3-7-15/h4-5,8H,2-3,6-7,9H2,1H3