[2-oxidanylidene-2-(pentylamino)ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C13H17BrN2O3/c1-2-3-4-5-16-12(17)9-19-13(18)10-6-11(14)8-15-7-10/h6-8H,2-5,9H2,1H3,(H,16,17)