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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C13H17BrN2O3 MolecularWeight: 329.18968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C13H17BrN2O3/c1-3-11(4-2)16-12(17)8-19-13(18)9-5-10(14)7-15-6-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)