2-(2,6-dimethoxyphenyl)carbonylbutanenitrile

Systemtic Name: 2-(2,6-dimethoxyphenyl)carbonylbutanenitrile Openeye Name: 2-(2,6-dimethoxybenzoyl)butanenitrile CAS Name: 2-[(2,6-dimethoxyphenyl)-oxomethyl]butanenitrile IUPAC Name: 2-(2,6-dimethoxybenzoyl)butanenitrile Traditional Name: 2-(2,6-dimethoxybenzoyl)butyronitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)C(=O)C1=C(C=CC=C1OC)OC

Isomeric SMILES

CCC(C#N)C(=O)C1=C(C=CC=C1OC)OC

InChI

InChI=1S/C13H15NO3/c1-4-9(8-14)13(15)12-10(16-2)6-5-7-11(12)17-3/h5-7,9H,4H2,1-3H3