2-[4-(2-methylpropanoyl)phenyl]propanenitrile

Systemtic Name: 2-[4-(2-methylpropanoyl)phenyl]propanenitrile Openeye Name: 2-[4-(2-methylpropanoyl)phenyl]propanenitrile CAS Name: 2-[4-(2-methyl-1-oxopropyl)phenyl]propanenitrile IUPAC Name: 2-[4-(2-methylpropanoyl)phenyl]propanenitrile Traditional Name: 2-(4-isobutyrylphenyl)propionitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-9(2)13(15)12-6-4-11(5-7-12)10(3)8-14/h4-7,9-10H,1-3H3