ethyl 5-bromanyl-3-(2,3-dihydro-1,4-dioxin-5-ylcarbonyloxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(2,3-dihydro-1,4-dioxin-5-ylcarbonyloxymethyl)-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-bromo-3-(2,3-dihydro-1,4-dioxine-5-carbonyloxymethyl)benzofuran-2-carboxylate CAS Name: 5-bromo-3-[[2,3-dihydro-1,4-dioxin-5-yl(oxo)methoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(2,3-dihydro-1,4-dioxine-5-carbonyloxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-(2,3-dihydro-p-dioxin-5-carbonyloxymethyl)coumarilic acid ethyl ester Formula: C17H15BrO7 MolecularWeight: 411.2008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=COCCO3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)Br)COC(=O)C3=COCCO3

InChI

InChI=1S/C17H15BrO7/c1-2-22-17(20)15-12(11-7-10(18)3-4-13(11)25-15)8-24-16(19)14-9-21-5-6-23-14/h3-4,7,9H,2,5-6,8H2,1H3