2-(3-bromophenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 2-(3-bromophenyl)-5-methyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 2-(3-bromophenyl)-5-methyl-triazole-4-carboxylic acid CAS Name: 2-(3-bromophenyl)-5-methyl-4-triazolecarboxylic acid IUPAC Name: 2-(3-bromophenyl)-5-methyltriazole-4-carboxylic acid Traditional Name: 2-(3-bromophenyl)-5-methyl-triazole-4-carboxylic acid Formula: C10H8BrN3O2 MolecularWeight: 282.09342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)O)C2=CC(=CC=C2)Br

Isomeric SMILES

CC1=NN(N=C1C(=O)O)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H8BrN3O2/c1-6-9(10(15)16)13-14(12-6)8-4-2-3-7(11)5-8/h2-5H,1H3,(H,15,16)