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

Systemtic Name: 2-(4-chloranyl-2,6-dimethyl-phenyl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(4-chloro-2,6-dimethyl-phenyl)-3-oxo-butanenitrile CAS Name: 2-(4-chloro-2,6-dimethylphenyl)-3-oxobutanenitrile IUPAC Name: 2-(4-chloro-2,6-dimethylphenyl)-3-oxobutanenitrile Traditional Name: 2-(4-chloro-2,6-dimethyl-phenyl)-3-keto-butyronitrile Formula: C12H12ClNO MolecularWeight: 221.68278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(C#N)C(=O)C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1C(C#N)C(=O)C)C)Cl

InChI

InChI=1S/C12H12ClNO/c1-7-4-10(13)5-8(2)12(7)11(6-14)9(3)15/h4-5,11H,1-3H3