[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C20H17BrO7 MolecularWeight: 449.24878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H17BrO7/c1-25-17-6-3-13(21)9-14(17)15(22)4-7-20(24)26-10-16(23)12-2-5-18-19(8-12)28-11-27-18/h2-3,5-6,8-9H,4,7,10-11H2,1H3