2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: 2-(4-chlorophenyl)-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: 2-(4-chlorophenyl)-5-methyl-3-oxo-hexanenitrile CAS Name: 2-(4-chlorophenyl)-5-methyl-3-oxohexanenitrile IUPAC Name: 2-(4-chlorophenyl)-5-methyl-3-oxohexanenitrile Traditional Name: 2-(4-chlorophenyl)-3-keto-5-methyl-hexanenitrile Formula: C13H14ClNO MolecularWeight: 235.70936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO/c1-9(2)7-13(16)12(8-15)10-3-5-11(14)6-4-10/h3-6,9,12H,7H2,1-2H3