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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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