cyanomethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,5-dimethoxyphenyl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,5-dimethoxyphenyl)acrylic acid cyanomethyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1)/C=C/C(=O)OCC#N)OC

InChI

InChI=1S/C13H13NO4/c1-16-11-7-10(8-12(9-11)17-2)3-4-13(15)18-6-5-14/h3-4,7-9H,6H2,1-2H3/b4-3+