2-methyl-5-(2-methylpropanoyl)benzenecarbonitrile

Systemtic Name: 2-methyl-5-(2-methylpropanoyl)benzenecarbonitrile Openeye Name: 2-methyl-5-(2-methylpropanoyl)benzonitrile CAS Name: 2-methyl-5-(2-methyl-1-oxopropyl)benzonitrile IUPAC Name: 2-methyl-5-(2-methylpropanoyl)benzonitrile Traditional Name: 5-isobutyryl-2-methyl-benzonitrile Formula: C12H13NO MolecularWeight: 187.23772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)C)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)C)C#N

InChI

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