[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C)C

InChI

InChI=1S/C21H20BrNO4/c1-4-14-7-5-6-12(2)19(14)23-18(24)11-26-21(25)20-13(3)16-10-15(22)8-9-17(16)27-20/h5-10H,4,11H2,1-3H3,(H,23,24)