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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)C2=CC3=C(C=C2)OCO3)Br)OC

InChI

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