4-(5-oxidanylidenepentan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(5-oxidanylidenepentan-2-yl)benzenecarbonitrile Openeye Name: 4-(1-methyl-4-oxo-butyl)benzonitrile CAS Name: 4-(5-oxopentan-2-yl)benzonitrile IUPAC Name: 4-(5-oxopentan-2-yl)benzonitrile Traditional Name: 4-(4-keto-1-methyl-butyl)benzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO/c1-10(3-2-8-14)12-6-4-11(9-13)5-7-12/h4-8,10H,2-3H2,1H3