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

Systemtic Name: 3-oxidanylidene-4-(2,4,6-trimethylphenyl)butanenitrile Openeye Name: 3-oxo-4-(2,4,6-trimethylphenyl)butanenitrile CAS Name: 3-oxo-4-(2,4,6-trimethylphenyl)butanenitrile IUPAC Name: 3-oxo-4-(2,4,6-trimethylphenyl)butanenitrile Traditional Name: 3-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)CC(=O)CC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-9-6-10(2)13(11(3)7-9)8-12(15)4-5-14/h6-7H,4,8H2,1-3H3