[1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H15F3N2O7S MolecularWeight: 460.38111

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O7S/c1-10(16(24)22-13-6-4-3-5-12(13)18(19,20)21)30-17(25)11-7-8-15(31(2,28)29)14(9-11)23(26)27/h3-10H,1-2H3,(H,22,24)