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

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C16H14BrFN2O3 MolecularWeight: 381.196363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=CN=C2)Br)F

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)COC(=O)C2=CC(=CN=C2)Br)F

InChI

InChI=1S/C16H14BrFN2O3/c17-13-7-12(8-19-9-13)16(22)23-10-15(21)20-6-5-11-1-3-14(18)4-2-11/h1-4,7-9H,5-6,10H2,(H,20,21)