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

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C13H12FN3O3 MolecularWeight: 277.251083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=NN2)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)COC(=O)C2=CC=NN2)F

InChI

InChI=1S/C13H12FN3O3/c14-10-3-1-9(2-4-10)7-15-12(18)8-20-13(19)11-5-6-16-17-11/h1-6H,7-8H2,(H,15,18)(H,16,17)