[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H16ClN3O4 MolecularWeight: 313.73684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)Cl

Isomeric SMILES

CC(C)CNC(=O)NC(=O)COC(=O)C1=C(N=CC=C1)Cl

InChI

InChI=1S/C13H16ClN3O4/c1-8(2)6-16-13(20)17-10(18)7-21-12(19)9-4-3-5-15-11(9)14/h3-5,8H,6-7H2,1-2H3,(H2,16,17,18,20)