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

Systemtic Name: [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [2-methoxy-4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C25H20O6 MolecularWeight: 416.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C25H20O6/c1-16-3-7-18(8-4-16)20(26)10-5-17-6-11-22(23(13-17)28-2)31-25(27)19-9-12-21-24(14-19)30-15-29-21/h3-14H,15H2,1-2H3/b10-5+