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

Systemtic Name: 1-(5-bromanyl-2-methyl-phenyl)-5-ethyl-1,2,3-triazole-4-carboxylic acid Openeye Name: 1-(5-bromo-2-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid CAS Name: 1-(5-bromo-2-methylphenyl)-5-ethyl-4-triazolecarboxylic acid IUPAC Name: 1-(5-bromo-2-methylphenyl)-5-ethyltriazole-4-carboxylic acid Traditional Name: 1-(5-bromo-2-methyl-phenyl)-5-ethyl-triazole-4-carboxylic acid Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

Isomeric SMILES

CCC1=C(N=NN1C2=C(C=CC(=C2)Br)C)C(=O)O

InChI

InChI=1S/C12H12BrN3O2/c1-3-9-11(12(17)18)14-15-16(9)10-6-8(13)5-4-7(10)2/h4-6H,3H2,1-2H3,(H,17,18)