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

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C20H18BrNO4/c1-11-6-4-5-7-16(11)22-19(23)13(3)25-20(24)18-12(2)15-10-14(21)8-9-17(15)26-18/h4-10,13H,1-3H3,(H,22,23)