ethyl 4-bromanyl-5-(4-fluorophenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-5-(4-fluorophenyl)carbonyloxy-2-methanoyl-7-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-5-(4-fluorobenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylate CAS Name: 4-bromo-5-[(4-fluorophenyl)-oxomethoxy]-2-formyl-7-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-5-(4-fluorobenzoyl)oxy-2-formyl-7-methyl-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-5-(4-fluorobenzoyl)oxy-2-formyl-7-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C20H14BrFO6 MolecularWeight: 449.223963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=C(C=C3)F)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C3=CC=C(C=C3)F)Br)C=O

InChI

InChI=1S/C20H14BrFO6/c1-3-26-20(25)15-14(9-23)27-18-10(2)8-13(17(21)16(15)18)28-19(24)11-4-6-12(22)7-5-11/h4-9H,3H2,1-2H3