[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H18N4O4 MolecularWeight: 330.33852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=NN1)C2=CC=CC=C2

InChI

InChI=1S/C16H18N4O4/c1-10(2)17-16(23)18-14(21)9-24-15(22)13-8-12(19-20-13)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,19,20)(H2,17,18,21,23)