2-[2-(2-methylpropanoyl)phenyl]ethanenitrile

Systemtic Name: 2-[2-(2-methylpropanoyl)phenyl]ethanenitrile Openeye Name: 2-[2-(2-methylpropanoyl)phenyl]acetonitrile CAS Name: 2-[2-(2-methyl-1-oxopropyl)phenyl]acetonitrile IUPAC Name: 2-[2-(2-methylpropanoyl)phenyl]acetonitrile Traditional Name: 2-(2-isobutyrylphenyl)acetonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=CC=C1CC#N

Isomeric SMILES

CC(C)C(=O)C1=CC=CC=C1CC#N

InChI

InChI=1S/C12H13NO/c1-9(2)12(14)11-6-4-3-5-10(11)7-8-13/h3-6,9H,7H2,1-2H3