2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid

Systemtic Name: 2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Openeye Name: 2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid CAS Name: 2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid IUPAC Name: 2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Traditional Name: 2-(3-propyl-1,2,4-triazol-4-yl)benzoic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=CN1C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCC1=NN=CN1C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H13N3O2/c1-2-5-11-14-13-8-15(11)10-7-4-3-6-9(10)12(16)17/h3-4,6-8H,2,5H2,1H3,(H,16,17)