1-(3-chloranyl-2-methyl-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5-propyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(3-chloro-2-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid CAS Name: 1-(3-chloro-2-methylphenyl)-5-propyl-4-triazolecarboxylic acid IUPAC Name: 1-(3-chloro-2-methylphenyl)-5-propyltriazole-4-carboxylic acid Traditional Name: 1-(3-chloro-2-methyl-phenyl)-5-propyl-triazole-4-carboxylic acid Formula: C13H14ClN3O2 MolecularWeight: 279.72216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=NN1C2=C(C(=CC=C2)Cl)C)C(=O)O

Isomeric SMILES

CCCC1=C(N=NN1C2=C(C(=CC=C2)Cl)C)C(=O)O

InChI

InChI=1S/C13H14ClN3O2/c1-3-5-11-12(13(18)19)15-16-17(11)10-7-4-6-9(14)8(10)2/h4,6-7H,3,5H2,1-2H3,(H,18,19)