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

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-5-cyclopropyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(4-bromo-3-methyl-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid CAS Name: 1-(4-bromo-3-methylphenyl)-5-cyclopropyl-4-triazolecarboxylic acid IUPAC Name: 1-(4-bromo-3-methylphenyl)-5-cyclopropyltriazole-4-carboxylic acid Traditional Name: 1-(4-bromo-3-methyl-phenyl)-5-cyclopropyl-triazole-4-carboxylic acid Formula: C13H12BrN3O2 MolecularWeight: 322.15728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=C(N=N2)C(=O)O)C3CC3)Br

InChI

InChI=1S/C13H12BrN3O2/c1-7-6-9(4-5-10(7)14)17-12(8-2-3-8)11(13(18)19)15-16-17/h4-6,8H,2-3H2,1H3,(H,18,19)