2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)ethanenitrile

Systemtic Name: 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)ethanenitrile Openeye Name: 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)acetonitrile CAS Name: 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)acetonitrile IUPAC Name: 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)acetonitrile Traditional Name: 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)acetonitrile Formula: C11H13NO3 MolecularWeight: 209.238144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC#N

Isomeric SMILES

[2H]C([2H])(C#N)C1=CC(=C(C(=C1)OC)OC)OC

InChI

InChI=1S/C11H13NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4H2,1-3H3/i4D2