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

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(2-chloro-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(2-chloro-4-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(2-chloro-4-methylphenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(2-chloro-4-methyl-phenyl)-5-cyclopropyl-1,2,4-triazole-3-carboxylic acid Formula: C13H12ClN3O2 MolecularWeight: 277.70628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NC(=N2)C(=O)O)C3CC3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NC(=N2)C(=O)O)C3CC3)Cl

InChI

InChI=1S/C13H12ClN3O2/c1-7-2-5-10(9(14)6-7)17-12(8-3-4-8)15-11(16-17)13(18)19/h2,5-6,8H,3-4H2,1H3,(H,18,19)