1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]pyrazole-3-carboxylic acid Formula: C13H12FN3O3 MolecularWeight: 277.251083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CN2C=CC(=N2)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CN2C=CC(=N2)C(=O)O)F

InChI

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