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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16BrN3O4 MolecularWeight: 358.18784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CN=C1)Br

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=CC(=CN=C1)Br

InChI

InChI=1S/C13H16BrN3O4/c1-8(2)4-16-13(20)17-11(18)7-21-12(19)9-3-10(14)6-15-5-9/h3,5-6,8H,4,7H2,1-2H3,(H2,16,17,18,20)