4-(3-chloranyl-4-methyl-phenyl)-2-ethanoyl-3-methyl-4-oxidanylidene-butanenitrile

Systemtic Name: 4-(3-chloranyl-4-methyl-phenyl)-2-ethanoyl-3-methyl-4-oxidanylidene-butanenitrile Openeye Name: 2-acetyl-4-(3-chloro-4-methyl-phenyl)-3-methyl-4-oxo-butanenitrile CAS Name: 2-acetyl-4-(3-chloro-4-methylphenyl)-3-methyl-4-oxobutanenitrile IUPAC Name: 2-acetyl-4-(3-chloro-4-methylphenyl)-3-methyl-4-oxobutanenitrile Traditional Name: 2-acetyl-4-(3-chloro-4-methyl-phenyl)-4-keto-3-methyl-butyronitrile Formula: C14H14ClNO2 MolecularWeight: 263.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)C(C#N)C(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)C(C#N)C(=O)C)Cl

InChI

InChI=1S/C14H14ClNO2/c1-8-4-5-11(6-13(8)15)14(18)9(2)12(7-16)10(3)17/h4-6,9,12H,1-3H3