[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C16H12BrFN2O4 MolecularWeight: 395.179883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC(=CN=C2)Br)F

InChI

InChI=1S/C16H12BrFN2O4/c1-9(21)20-12-2-3-13(14(18)5-12)15(22)8-24-16(23)10-4-11(17)7-19-6-10/h2-7H,8H2,1H3,(H,20,21)