2-[5-(cyanomethyl)-2,3,4-trimethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[5-(cyanomethyl)-2,3,4-trimethoxy-phenyl]ethanenitrile Openeye Name: 2-[5-(cyanomethyl)-2,3,4-trimethoxy-phenyl]acetonitrile CAS Name: 2-[5-(cyanomethyl)-2,3,4-trimethoxyphenyl]acetonitrile IUPAC Name: 2-[5-(cyanomethyl)-2,3,4-trimethoxyphenyl]acetonitrile Traditional Name: 2-[5-(cyanomethyl)-2,3,4-trimethoxy-phenyl]acetonitrile Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1CC#N)CC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1CC#N)CC#N)OC)OC

InChI

InChI=1S/C13H14N2O3/c1-16-11-9(4-6-14)8-10(5-7-15)12(17-2)13(11)18-3/h8H,4-5H2,1-3H3