[2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-ethoxycarbonylanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2-ethoxycarbonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethoxycarbonylanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(2-carbethoxyanilino)-2-keto-ethyl] ester Formula: C21H18BrNO6 MolecularWeight: 460.27472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C21H18BrNO6/c1-3-27-20(25)14-6-4-5-7-16(14)23-18(24)11-28-21(26)19-12(2)15-10-13(22)8-9-17(15)29-19/h4-10H,3,11H2,1-2H3,(H,23,24)