4-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-pentanenitrile

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-pentanenitrile Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-oxo-pentanenitrile CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-oxopentanenitrile IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-5-oxopentanenitrile Traditional Name: 5-(3,4-dimethoxyphenyl)-4-formyl-valeronitrile Formula: C14H17NO3 MolecularWeight: 247.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3/c1-17-13-6-5-11(9-14(13)18-2)8-12(10-16)4-3-7-15/h5-6,9-10,12H,3-4,8H2,1-2H3