2-[(3,4,5-trimethoxyphenyl)methyl]propanedinitrile

Systemtic Name: 2-[(3,4,5-trimethoxyphenyl)methyl]propanedinitrile Openeye Name: 2-[(3,4,5-trimethoxyphenyl)methyl]propanedinitrile CAS Name: 2-[(3,4,5-trimethoxyphenyl)methyl]propanedinitrile IUPAC Name: 2-[(3,4,5-trimethoxyphenyl)methyl]propanedinitrile Traditional Name: 2-(3,4,5-trimethoxybenzyl)malononitrile Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-16-11-5-9(4-10(7-14)8-15)6-12(17-2)13(11)18-3/h5-6,10H,4H2,1-3H3