3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile

Systemtic Name: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile Openeye Name: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile CAS Name: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile IUPAC Name: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile Traditional Name: 3-(3,4-dimethoxyphenyl)pentane-1,3,5-tricarbonitrile Formula: C16H17N3O2 MolecularWeight: 283.32508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2/c1-20-14-6-5-13(11-15(14)21-2)16(12-19,7-3-9-17)8-4-10-18/h5-6,11H,3-4,7-8H2,1-2H3