3-(2,3,5-trimethylphenoxy)propanenitrile

Systemtic Name: 3-(2,3,5-trimethylphenoxy)propanenitrile Openeye Name: 3-(2,3,5-trimethylphenoxy)propanenitrile CAS Name: 3-(2,3,5-trimethylphenoxy)propanenitrile IUPAC Name: 3-(2,3,5-trimethylphenoxy)propanenitrile Traditional Name: 3-(2,3,5-trimethylphenoxy)propionitrile Formula: C12H15NO MolecularWeight: 189.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCC#N)C)C

InChI

InChI=1S/C12H15NO/c1-9-7-10(2)11(3)12(8-9)14-6-4-5-13/h7-8H,4,6H2,1-3H3