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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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