[3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [3-[(E)-3-(2,4-dimethoxyphenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H20O7 MolecularWeight: 432.4221

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20O7/c1-28-18-8-9-20(23(14-18)29-2)21(26)10-6-16-4-3-5-19(12-16)32-25(27)17-7-11-22-24(13-17)31-15-30-22/h3-14H,15H2,1-2H3/b10-6+