3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 3-oxidanylidene-2-[3-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 3-oxo-2-[3-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 3-keto-2-[3-(trifluoromethyl)phenyl]enanthonitrile Formula: C14H14F3NO MolecularWeight: 269.26227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3NO/c1-2-3-7-13(19)12(9-18)10-5-4-6-11(8-10)14(15,16)17/h4-6,8,12H,2-3,7H2,1H3