2-(3-fluorophenyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(3-fluorophenyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(3-fluorophenyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(3-fluorophenyl)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(3-fluorophenyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(3-fluorophenyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C13H14FNO MolecularWeight: 219.254763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14FNO/c1-13(2,3)12(16)11(8-15)9-5-4-6-10(14)7-9/h4-7,11H,1-3H3