4-(3,4-dimethylphenoxy)butanenitrile

Systemtic Name: 4-(3,4-dimethylphenoxy)butanenitrile Openeye Name: 4-(3,4-dimethylphenoxy)butanenitrile CAS Name: 4-(3,4-dimethylphenoxy)butanenitrile IUPAC Name: 4-(3,4-dimethylphenoxy)butanenitrile Traditional Name: 4-(3,4-dimethylphenoxy)butyronitrile Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO/c1-10-5-6-12(9-11(10)2)14-8-4-3-7-13/h5-6,9H,3-4,8H2,1-2H3