2-[2,6-bis(chloranyl)phenyl]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: 2-[2,6-bis(chloranyl)phenyl]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: 2-(2,6-dichlorophenyl)-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: 2-(2,6-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: 2-(2,6-dichlorophenyl)-4,4-dimethyl-3-oxopentanenitrile Traditional Name: 2-(2,6-dichlorophenyl)-3-keto-4,4-dimethyl-valeronitrile Formula: C13H13Cl2NO MolecularWeight: 270.15442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl2NO/c1-13(2,3)12(17)8(7-16)11-9(14)5-4-6-10(11)15/h4-6,8H,1-3H3