2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-fluoranyl-benzoic acid Openeye Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-fluoro-benzoic acid CAS Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-fluorobenzoic acid IUPAC Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]-5-fluorobenzoic acid Traditional Name: 2-(3-ethyl-5-methylol-1,2,4-triazol-4-yl)-5-fluoro-benzoic acid Formula: C12H12FN3O3 MolecularWeight: 265.240383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)O)CO

Isomeric SMILES

CCC1=NN=C(N1C2=C(C=C(C=C2)F)C(=O)O)CO

InChI

InChI=1S/C12H12FN3O3/c1-2-10-14-15-11(6-17)16(10)9-4-3-7(13)5-8(9)12(18)19/h3-5,17H,2,6H2,1H3,(H,18,19)