[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C17H13F3N2O5S MolecularWeight: 414.35573

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O5S/c1-28-14-7-6-10(8-13(14)22(25)26)16(24)27-9-15(23)21-12-5-3-2-4-11(12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)