[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C14H11BrF3NO4 MolecularWeight: 394.14065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C14H11BrF3NO4/c1-7-9-4-8(15)2-3-10(9)23-12(7)13(21)22-5-11(20)19-6-14(16,17)18/h2-4H,5-6H2,1H3,(H,19,20)