1,3-benzodioxol-5-yl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: 1,3-benzodioxol-5-yl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: 1,3-benzodioxol-5-yl (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid 1,3-benzodioxol-5-yl ester Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2=CC3=C(C=C2)OCO3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC2=CC3=C(C=C2)OCO3)OCC#N

InChI

InChI=1S/C19H15NO6/c1-22-17-10-13(2-5-15(17)23-9-8-20)3-7-19(21)26-14-4-6-16-18(11-14)25-12-24-16/h2-7,10-11H,9,12H2,1H3/b7-3+