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

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-(3-methylphenyl)carbonyloxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-(3-methylbenzoyl)oxy-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-[(3-methylphenyl)-oxomethoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-(3-methylbenzoyl)oxy-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-m-toluoyloxy-benzofuran-3-carboxylic acid ethyl ester Formula: C21H17BrO6 MolecularWeight: 445.26008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrO6/c1-4-26-21(25)16-15(10-23)27-19-12(3)9-14(18(22)17(16)19)28-20(24)13-7-5-6-11(2)8-13/h5-10H,4H2,1-3H3