[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-cyanobenzoate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C23H14ClF3N2O3 MolecularWeight: 458.81707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H14ClF3N2O3/c24-18-11-10-17(23(25,26)27)12-19(18)29-21(30)20(15-4-2-1-3-5-15)32-22(31)16-8-6-14(13-28)7-9-16/h1-12,20H,(H,29,30)