1,3-benzodioxol-5-ylmethyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 3-bromanyl-5-ethoxy-4-methoxy-benzoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 3-bromo-5-ethoxy-4-methoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-methoxybenzoic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 3-bromo-5-ethoxy-4-methoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-methoxy-benzoic acid piperonyl ester Formula: C18H17BrO6 MolecularWeight: 409.22798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC2=CC3=C(C=C2)OCO3)Br)OC

InChI

InChI=1S/C18H17BrO6/c1-3-22-16-8-12(7-13(19)17(16)21-2)18(20)23-9-11-4-5-14-15(6-11)25-10-24-14/h4-8H,3,9-10H2,1-2H3