4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanenitrile

Systemtic Name: 4-oxidanylidene-4-(2,4,6-trimethylphenyl)butanenitrile Openeye Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanenitrile CAS Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanenitrile IUPAC Name: 4-oxo-4-(2,4,6-trimethylphenyl)butanenitrile Traditional Name: 4-keto-4-mesityl-butyronitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-9-7-10(2)13(11(3)8-9)12(15)5-4-6-14/h7-8H,4-5H2,1-3H3