2-[2-(cyanomethyl)-3,4-dimethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[2-(cyanomethyl)-3,4-dimethoxy-phenyl]ethanenitrile Openeye Name: 2-[2-(cyanomethyl)-3,4-dimethoxy-phenyl]acetonitrile CAS Name: 2-[2-(cyanomethyl)-3,4-dimethoxyphenyl]acetonitrile IUPAC Name: 2-[2-(cyanomethyl)-3,4-dimethoxyphenyl]acetonitrile Traditional Name: 2-[2-(cyanomethyl)-3,4-dimethoxy-phenyl]acetonitrile Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC#N)CC#N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC#N)CC#N)OC

InChI

InChI=1S/C12H12N2O2/c1-15-11-4-3-9(5-7-13)10(6-8-14)12(11)16-2/h3-4H,5-6H2,1-2H3