(4-bromanyl-2,5-dimethoxy-phenyl)methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-bromanyl-2,5-dimethoxy-phenyl)methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (4-bromo-2,5-dimethoxy-phenyl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (4-bromo-2,5-dimethoxyphenyl)methyl ester IUPAC Name: (4-bromo-2,5-dimethoxyphenyl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (4-bromo-2,5-dimethoxy-benzyl) ester Formula: C17H15BrO6 MolecularWeight: 395.2014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1COC(=O)C2=CC3=C(C=C2)OCO3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1COC(=O)C2=CC3=C(C=C2)OCO3)OC)Br

InChI

InChI=1S/C17H15BrO6/c1-20-14-7-12(18)15(21-2)6-11(14)8-22-17(19)10-3-4-13-16(5-10)24-9-23-13/h3-7H,8-9H2,1-2H3