[3-[(E)-3-(2,5-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-[(E)-3-(2,5-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-[(E)-3-(2,5-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(2,5-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-[(E)-3-(2,5-dimethoxyphenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H20O7 MolecularWeight: 432.4221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)/C=C/C2=CC(=CC=C2)OC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H20O7/c1-28-18-8-11-22(29-2)20(14-18)21(26)9-6-16-4-3-5-19(12-16)32-25(27)17-7-10-23-24(13-17)31-15-30-23/h3-14H,15H2,1-2H3/b9-6+