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

Systemtic Name: 3-methyl-4-(2-methyl-3-oxidanylidene-butyl)benzenecarbonitrile Openeye Name: 3-methyl-4-(2-methyl-3-oxo-butyl)benzonitrile CAS Name: 3-methyl-4-(2-methyl-3-oxobutyl)benzonitrile IUPAC Name: 3-methyl-4-(2-methyl-3-oxobutyl)benzonitrile Traditional Name: 4-(3-keto-2-methyl-butyl)-3-methyl-benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-9(11(3)15)7-13-5-4-12(8-14)6-10(13)2/h4-6,9H,7H2,1-3H3