1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-ethyl-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 1-[2,6-bis(bromanyl)-4-methyl-phenyl]-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(2,6-dibromo-4-methylphenyl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(2,6-dibromo-4-methylphenyl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(2,6-dibromo-4-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid Formula: C12H11Br2N3O2 MolecularWeight: 389.04264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=C(C=C2Br)C)Br)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=C(C=C2Br)C)Br)C(=O)O

InChI

InChI=1S/C12H11Br2N3O2/c1-3-9-10(12(18)19)15-16-17(9)11-7(13)4-6(2)5-8(11)14/h4-5H,3H2,1-2H3,(H,18,19)