4-(3-oxidanylidenebutan-2-yl)benzenecarbonitrile

Systemtic Name: 4-(3-oxidanylidenebutan-2-yl)benzenecarbonitrile Openeye Name: 4-(1-methyl-2-oxo-propyl)benzonitrile CAS Name: 4-(3-oxobutan-2-yl)benzonitrile IUPAC Name: 4-(3-oxobutan-2-yl)benzonitrile Traditional Name: 4-(2-keto-1-methyl-propyl)benzonitrile Formula: C11H11NO MolecularWeight: 173.21114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11NO/c1-8(9(2)13)11-5-3-10(7-12)4-6-11/h3-6,8H,1-2H3