[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C13H17N3O4 MolecularWeight: 279.29178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)OCC(=O)NCCC#N)C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)OCC(=O)NCCC#N)C(C)C

InChI

InChI=1S/C13H17N3O4/c1-8(2)12-11(9(3)16-20-12)13(18)19-7-10(17)15-6-4-5-14/h8H,4,6-7H2,1-3H3,(H,15,17)