[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-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-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H17FN4O4 MolecularWeight: 348.328983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17FN4O4/c1-9(2)18-16(24)19-14(22)8-25-15(23)13-7-12(20-21-13)10-3-5-11(17)6-4-10/h3-7,9H,8H2,1-2H3,(H,20,21)(H2,18,19,22,24)