[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H13BrFN3O4 MolecularWeight: 410.194523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CNC(=O)COC(=O)C2=CC(=CN=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CNC(=O)COC(=O)C2=CC(=CN=C2)Br)F

InChI

InChI=1S/C16H13BrFN3O4/c17-11-5-10(6-19-7-11)16(24)25-9-15(23)20-8-14(22)21-13-3-1-12(18)2-4-13/h1-7H,8-9H2,(H,20,23)(H,21,22)