4-(3-chlorophenyl)-2-ethanoyl-3-methyl-4-oxidanylidene-butanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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