2-ethyl-5-(2-methylpropanoyl)benzenecarbonitrile

Systemtic Name: 2-ethyl-5-(2-methylpropanoyl)benzenecarbonitrile Openeye Name: 2-ethyl-5-(2-methylpropanoyl)benzonitrile CAS Name: 2-ethyl-5-(2-methyl-1-oxopropyl)benzonitrile IUPAC Name: 2-ethyl-5-(2-methylpropanoyl)benzonitrile Traditional Name: 2-ethyl-5-isobutyryl-benzonitrile Formula: C13H15NO MolecularWeight: 201.2643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)C(C)C)C#N

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)C(C)C)C#N

InChI

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