[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 2,5-diphenylpyrazole-3-carboxylate CAS Name: 2,5-diphenyl-3-pyrazolecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 2,5-diphenylpyrazole-3-carboxylate Traditional Name: 2,5-diphenylpyrazole-3-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NN1C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H20N4O4/c1-2-13-23-22(29)24-20(27)15-30-21(28)19-14-18(16-9-5-3-6-10-16)25-26(19)17-11-7-4-8-12-17/h2-12,14H,1,13,15H2,(H2,23,24,27,29)