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

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H16BrFN2O4 MolecularWeight: 459.265143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H16BrFN2O4/c1-13-17-11-14(22)3-8-18(17)29-20(13)21(27)28-12-19(26)25(10-2-9-24)16-6-4-15(23)5-7-16/h3-8,11H,2,10,12H2,1H3