[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20BrNO6 MolecularWeight: 462.2906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO6/c1-11-15-9-13(22)5-7-16(15)29-19(11)21(25)28-12(2)20(24)23-14-6-8-17(26-3)18(10-14)27-4/h5-10,12H,1-4H3,(H,23,24)