[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H17BrO5 MolecularWeight: 417.24998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H17BrO5/c1-3-24-15-8-9-18-16(10-15)12(2)19(26-18)20(23)25-11-17(22)13-4-6-14(21)7-5-13/h4-10H,3,11H2,1-2H3