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

Systemtic Name: [2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2,4-dimethylanilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(2,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrNO4/c1-11-4-6-16(12(2)8-11)22-18(23)10-25-20(24)19-13(3)15-9-14(21)5-7-17(15)26-19/h4-9H,10H2,1-3H3,(H,22,23)