[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 5-methylsulfanyl-2-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CN2

Isomeric SMILES

CSC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=CN2

InChI

InChI=1S/C14H12N2O5S/c1-22-9-4-5-12(16(19)20)10(7-9)14(18)21-8-13(17)11-3-2-6-15-11/h2-7,15H,8H2,1H3