4-(2-oxidanylidenepropyl)-2-(2,3,3-trimethylbutan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(2-oxidanylidenepropyl)-2-(2,3,3-trimethylbutan-2-yl)benzenecarbonitrile Openeye Name: 4-acetonyl-2-(1,1,2,2-tetramethylpropyl)benzonitrile CAS Name: 4-(2-oxopropyl)-2-(2,3,3-trimethylbutan-2-yl)benzonitrile IUPAC Name: 4-(2-oxopropyl)-2-(2,3,3-trimethylbutan-2-yl)benzonitrile Traditional Name: 4-acetonyl-2-(1,1,2,2-tetramethylpropyl)benzonitrile Formula: C17H23NO MolecularWeight: 257.37062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO/c1-12(19)9-13-7-8-14(11-18)15(10-13)17(5,6)16(2,3)4/h7-8,10H,9H2,1-6H3