2-fluoranyl-6-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 2-fluoranyl-6-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Openeye Name: 2-fluoro-6-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid CAS Name: 2-fluoro-6-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]benzoic acid IUPAC Name: 2-fluoro-6-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Traditional Name: 2-fluoro-6-[3-(1,2,4-triazol-1-yl)propanoylamino]benzoic acid Formula: C12H11FN4O3 MolecularWeight: 278.239143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11FN4O3/c13-8-2-1-3-9(11(8)12(19)20)16-10(18)4-5-17-7-14-6-15-17/h1-3,6-7H,4-5H2,(H,16,18)(H,19,20)