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

Systemtic Name: 2-[3-(hydroxymethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid Openeye Name: 2-[3-(hydroxymethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid CAS Name: 2-[3-(hydroxymethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid IUPAC Name: 2-[3-(hydroxymethyl)-5-propyl-1,2,4-triazol-4-yl]benzoic acid Traditional Name: 2-(3-methylol-5-propyl-1,2,4-triazol-4-yl)benzoic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

Isomeric SMILES

CCCC1=NN=C(N1C2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C13H15N3O3/c1-2-5-11-14-15-12(8-17)16(11)10-7-4-3-6-9(10)13(18)19/h3-4,6-7,17H,2,5,8H2,1H3,(H,18,19)