4-(2,2,4-trimethyl-3-oxidanylidene-pentanoyl)benzenecarbonitrile

Systemtic Name: 4-(2,2,4-trimethyl-3-oxidanylidene-pentanoyl)benzenecarbonitrile Openeye Name: 4-(2,2,4-trimethyl-3-oxo-pentanoyl)benzonitrile CAS Name: 4-(2,2,4-trimethyl-1,3-dioxopentyl)benzonitrile IUPAC Name: 4-(2,2,4-trimethyl-3-oxopentanoyl)benzonitrile Traditional Name: 4-(3-keto-2,2,4-trimethyl-pentanoyl)benzonitrile Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO2/c1-10(2)13(17)15(3,4)14(18)12-7-5-11(9-16)6-8-12/h5-8,10H,1-4H3