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

Systemtic Name: [2-[[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[[2-(2,3-dimethylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[[2-(2,3-dimethylanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

InChI

InChI=1S/C22H21BrN2O5/c1-12-5-4-6-17(13(12)2)25-19(26)10-24-20(27)11-29-22(28)21-14(3)16-9-15(23)7-8-18(16)30-21/h4-9H,10-11H2,1-3H3,(H,24,27)(H,25,26)