4-butoxy-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-butoxy-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-butoxy-2-(trifluoromethyl)benzonitrile CAS Name: 4-butoxy-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-butoxy-2-(trifluoromethyl)benzonitrile Traditional Name: 4-butoxy-2-(trifluoromethyl)benzonitrile Formula: C12H12F3NO MolecularWeight: 243.22499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CCCCOC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C12H12F3NO/c1-2-3-6-17-10-5-4-9(8-16)11(7-10)12(13,14)15/h4-5,7H,2-3,6H2,1H3