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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-5-tert-butyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-5-tert-butyl-triazole-4-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-tert-butyl-4-triazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-5-tert-butyltriazole-4-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-5-tert-butyl-triazole-4-carboxylic acid Formula: C14H16BrN3O2 MolecularWeight: 338.19974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrN3O2/c1-8-5-6-9(15)7-10(8)18-12(14(2,3)4)11(13(19)20)16-17-18/h5-7H,1-4H3,(H,19,20)