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

Systemtic Name: 4-(4-chloranyl-3-methyl-phenyl)-2-ethanoyl-4-oxidanylidene-butanenitrile Openeye Name: 2-acetyl-4-(4-chloro-3-methyl-phenyl)-4-oxo-butanenitrile CAS Name: 2-acetyl-4-(4-chloro-3-methylphenyl)-4-oxobutanenitrile IUPAC Name: 2-acetyl-4-(4-chloro-3-methylphenyl)-4-oxobutanenitrile Traditional Name: 2-acetyl-4-(4-chloro-3-methyl-phenyl)-4-keto-butyronitrile Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClNO2/c1-8-5-10(3-4-12(8)14)13(17)6-11(7-15)9(2)16/h3-5,11H,6H2,1-2H3