2-fluoranyl-6-(3-pyrazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 2-fluoranyl-6-(3-pyrazol-1-ylpropanoylamino)benzoic acid Openeye Name: 2-fluoro-6-(3-pyrazol-1-ylpropanoylamino)benzoic acid CAS Name: 2-fluoro-6-[[1-oxo-3-(1-pyrazolyl)propyl]amino]benzoic acid IUPAC Name: 2-fluoro-6-(3-pyrazol-1-ylpropanoylamino)benzoic acid Traditional Name: 2-fluoro-6-(3-pyrazol-1-ylpropanoylamino)benzoic acid Formula: C13H12FN3O3 MolecularWeight: 277.251083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)C(=O)O)NC(=O)CCN2C=CC=N2

Isomeric SMILES

C1=CC(=C(C(=C1)F)C(=O)O)NC(=O)CCN2C=CC=N2

InChI

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