[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)amino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(3,4,5-trimethoxyanilino)ethyl] ester Formula: C21H20BrNO7 MolecularWeight: 478.29

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H20BrNO7/c1-11-14-7-12(22)5-6-15(14)30-19(11)21(25)29-10-18(24)23-13-8-16(26-2)20(28-4)17(9-13)27-3/h5-9H,10H2,1-4H3,(H,23,24)