ethyl 2-cyano-4,4,4-tris(fluoranyl)-2-phenyl-butanoate

Systemtic Name: ethyl 2-cyano-4,4,4-tris(fluoranyl)-2-phenyl-butanoate Openeye Name: ethyl 2-cyano-4,4,4-trifluoro-2-phenyl-butanoate CAS Name: 2-cyano-4,4,4-trifluoro-2-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-4,4,4-trifluoro-2-phenylbutanoate Traditional Name: 2-cyano-4,4,4-trifluoro-2-phenyl-butyric acid ethyl ester Formula: C13H12F3NO2 MolecularWeight: 271.23509

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(F)(F)F)(C#N)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(F)(F)F)(C#N)C1=CC=CC=C1

InChI

InChI=1S/C13H12F3NO2/c1-2-19-11(18)12(9-17,8-13(14,15)16)10-6-4-3-5-7-10/h3-7H,2,8H2,1H3