2-(2-chloranyl-6-fluoranyl-phenyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(2-chloro-6-fluorophenyl)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(2-chloro-6-fluorophenyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C13H13ClFNO MolecularWeight: 253.699823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C#N)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CC(C)(C)C(=O)C(C#N)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C13H13ClFNO/c1-13(2,3)12(17)8(7-16)11-9(14)5-4-6-10(11)15/h4-6,8H,1-3H3