3-[4-(2-methylpropanoyl)phenyl]propanenitrile

Systemtic Name: 3-[4-(2-methylpropanoyl)phenyl]propanenitrile Openeye Name: 3-[4-(2-methylpropanoyl)phenyl]propanenitrile CAS Name: 3-[4-(2-methyl-1-oxopropyl)phenyl]propanenitrile IUPAC Name: 3-[4-(2-methylpropanoyl)phenyl]propanenitrile Traditional Name: 3-(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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO/c1-10(2)13(15)12-7-5-11(6-8-12)4-3-9-14/h5-8,10H,3-4H2,1-2H3