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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C17H13F3N2O7S MolecularWeight: 446.35453

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F3N2O7S/c1-30(27,28)14-6-5-10(7-13(14)22(25)26)16(24)29-9-15(23)21-12-4-2-3-11(8-12)17(18,19)20/h2-8H,9H2,1H3,(H,21,23)