4-pentoxy-2-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 4-pentoxy-2-(trifluoromethyl)benzenecarbonitrile Openeye Name: 4-pentoxy-2-(trifluoromethyl)benzonitrile CAS Name: 4-pentoxy-2-(trifluoromethyl)benzonitrile IUPAC Name: 4-pentoxy-2-(trifluoromethyl)benzonitrile Traditional Name: 4-amoxy-2-(trifluoromethyl)benzonitrile Formula: C13H14F3NO MolecularWeight: 257.25157

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=C(C=C1)C#N)C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC(=C(C=C1)C#N)C(F)(F)F

InChI

InChI=1S/C13H14F3NO/c1-2-3-4-7-18-11-6-5-10(9-17)12(8-11)13(14,15)16/h5-6,8H,2-4,7H2,1H3