5-ethoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 5-ethoxy-3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-ethoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 5-ethoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-ethoxy-3-oxo-2-[3-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-ethoxy-3-keto-2-[3-(trifluoromethyl)phenyl]valeronitrile Formula: C14H14F3NO2 MolecularWeight: 285.26167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO2/c1-2-20-7-6-13(19)12(9-18)10-4-3-5-11(8-10)14(15,16)17/h3-5,8,12H,2,6-7H2,1H3