5-fluoranyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 5-fluoranyl-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 5-fluoro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 5-fluoro-2-[[1-oxo-2-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 5-fluoro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H12FN3O3 MolecularWeight: 277.251083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)C(=O)O)N2C=CC=N2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)F)C(=O)O)N2C=CC=N2

InChI

InChI=1S/C13H12FN3O3/c1-8(17-6-2-5-15-17)12(18)16-11-4-3-9(14)7-10(11)13(19)20/h2-8H,1H3,(H,16,18)(H,19,20)