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

Systemtic Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-ethyl-5-(hydroxymethyl)-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-(3-ethyl-5-methylol-1,2,4-triazol-4-yl)benzoic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

Isomeric SMILES

CCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C12H13N3O3/c1-2-10-13-14-11(7-16)15(10)9-6-4-3-5-8(9)12(17)18/h3-6,16H,2,7H2,1H3,(H,17,18)