[4-(4-bromophenyl)-4-oxidanylidene-butyl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [4-(4-bromophenyl)-4-oxidanylidene-butyl] 1,3-benzodioxole-5-carboxylate Openeye Name: [4-(4-bromophenyl)-4-oxo-butyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [4-(4-bromophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-bromophenyl)-4-oxobutyl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [4-(4-bromophenyl)-4-keto-butyl] ester Formula: C18H15BrO5 MolecularWeight: 391.2127

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)OCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrO5/c19-14-6-3-12(4-7-14)15(20)2-1-9-22-18(21)13-5-8-16-17(10-13)24-11-23-16/h3-8,10H,1-2,9,11H2