methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-(trifluoromethyl)benzoate

Systemtic Name: methyl 3-(1-cyano-2-oxidanylidene-3-phenyl-propyl)-5-(trifluoromethyl)benzoate Openeye Name: methyl 3-(1-cyano-2-oxo-3-phenyl-propyl)-5-(trifluoromethyl)benzoate CAS Name: 3-(1-cyano-2-oxo-3-phenylpropyl)-5-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(1-cyano-2-oxo-3-phenylpropyl)-5-(trifluoromethyl)benzoate Traditional Name: 3-(1-cyano-2-keto-3-phenyl-propyl)-5-(trifluoromethyl)benzoic acid methyl ester Formula: C19H14F3NO3 MolecularWeight: 361.31457

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(C#N)C(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(C#N)C(=O)CC2=CC=CC=C2

InChI

InChI=1S/C19H14F3NO3/c1-26-18(25)14-8-13(9-15(10-14)19(20,21)22)16(11-23)17(24)7-12-5-3-2-4-6-12/h2-6,8-10,16H,7H2,1H3