[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C20H15FN2O4 MolecularWeight: 366.342503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC(=O)N(CCC#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O4/c21-15-6-8-16(9-7-15)23(11-3-10-22)19(24)13-26-20(25)18-12-14-4-1-2-5-17(14)27-18/h1-2,4-9,12H,3,11,13H2