4-(2-methyl-3-oxidanylidene-butyl)benzenecarbonitrile

Systemtic Name: 4-(2-methyl-3-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 4-(2-methyl-3-oxo-butyl)benzonitrile CAS Name: 4-(2-methyl-3-oxobutyl)benzonitrile IUPAC Name: 4-(2-methyl-3-oxobutyl)benzonitrile Traditional Name: 4-(3-keto-2-methyl-butyl)benzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-9(10(2)14)7-11-3-5-12(8-13)6-4-11/h3-6,9H,7H2,1-2H3