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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c1-9(2)6-15-13(19)16-11(17)8-20-12(18)10-4-3-5-14-7-10/h3-5,7,9H,6,8H2,1-2H3,(H2,15,16,17,19)