2-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]prop-2-enenitrile

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-oxidanyl-methyl]prop-2-enenitrile Openeye Name: 2-[(3,4-dimethoxyphenyl)-hydroxy-methyl]prop-2-enenitrile CAS Name: 2-[(3,4-dimethoxyphenyl)-hydroxymethyl]-2-propenenitrile IUPAC Name: 2-[(3,4-dimethoxyphenyl)-hydroxymethyl]prop-2-enenitrile Traditional Name: 2-[(3,4-dimethoxyphenyl)-hydroxy-methyl]acrylonitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-8(7-13)12(14)9-4-5-10(15-2)11(6-9)16-3/h4-6,12,14H,1H2,2-3H3