4-(2-ethanoyl-4-methyl-phenoxy)butanenitrile

Systemtic Name: 4-(2-ethanoyl-4-methyl-phenoxy)butanenitrile Openeye Name: 4-(2-acetyl-4-methyl-phenoxy)butanenitrile CAS Name: 4-(2-acetyl-4-methylphenoxy)butanenitrile IUPAC Name: 4-(2-acetyl-4-methylphenoxy)butanenitrile Traditional Name: 4-(2-acetyl-4-methyl-phenoxy)butyronitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2/c1-10-5-6-13(12(9-10)11(2)15)16-8-4-3-7-14/h5-6,9H,3-4,8H2,1-2H3