[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1R)-2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H13F3N2O3 MolecularWeight: 362.30263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H13F3N2O3/c1-11(26-17(25)13-6-4-5-12(9-13)10-22)16(24)23-15-8-3-2-7-14(15)18(19,20)21/h2-9,11H,1H3,(H,23,24)/t11-/m1/s1