1-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(2-bromanyl-4-methyl-phenoxy)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(2-bromo-4-methyl-phenoxy)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(2-bromo-4-methylphenoxy)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(2-bromo-4-methylphenoxy)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(2-bromo-4-methyl-phenoxy)ethyl]triazole-4-carboxylate Formula: C12H11BrN3O3- MolecularWeight: 325.13804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCN2C=C(N=N2)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCN2C=C(N=N2)C(=O)[O-])Br

InChI

InChI=1S/C12H12BrN3O3/c1-8-2-3-11(9(13)6-8)19-5-4-16-7-10(12(17)18)14-15-16/h2-3,6-7H,4-5H2,1H3,(H,17,18)/p-1