methyl 4-bromanyl-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 4-bromanyl-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 7-benzyloxy-4-bromo-1,3-benzodioxole-5-carboxylate CAS Name: 4-bromo-7-phenylmethoxy-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 4-bromo-7-phenylmethoxy-1,3-benzodioxole-5-carboxylate Traditional Name: 7-benzoxy-4-bromo-piperonylic acid methyl ester Formula: C16H13BrO5 MolecularWeight: 365.17542

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C(=C1Br)OCO2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C2C(=C1Br)OCO2)OCC3=CC=CC=C3

InChI

InChI=1S/C16H13BrO5/c1-19-16(18)11-7-12(14-15(13(11)17)22-9-21-14)20-8-10-5-3-2-4-6-10/h2-7H,8-9H2,1H3