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

Systemtic Name: [4-[(E)-3-(4-bromophenyl)-3-oxidanylidene-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-[(E)-3-(4-bromophenyl)-3-oxo-prop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-[(E)-3-(4-bromophenyl)-3-keto-prop-1-enyl]phenyl] ester Formula: C23H15BrO5 MolecularWeight: 451.2662

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OC3=CC=C(C=C3)/C=C/C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H15BrO5/c24-18-7-4-16(5-8-18)20(25)11-3-15-1-9-19(10-2-15)29-23(26)17-6-12-21-22(13-17)28-14-27-21/h1-13H,14H2/b11-3+