[2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate

Systemtic Name: [2-(aminocarbonylamino)-2-oxidanylidene-ethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-ureido-ethyl) 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate CAS Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid [2-(carbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(carbamoylamino)-2-oxoethyl] 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate Traditional Name: 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid (2-keto-2-ureido-ethyl) ester Formula: C13H11FN4O4 MolecularWeight: 306.249243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C(=O)OCC(=O)NC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)C(=O)OCC(=O)NC(=O)N)F

InChI

InChI=1S/C13H11FN4O4/c14-8-3-1-7(2-4-8)11-9(5-16-18-11)12(20)22-6-10(19)17-13(15)21/h1-5H,6H2,(H,16,18)(H3,15,17,19,21)