2-[1-(5-bromanyl-2-methyl-phenyl)-5-methyl-1,2,3-triazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-(5-bromanyl-2-methyl-phenyl)-5-methyl-1,2,3-triazol-4-yl]ethanoic acid Openeye Name: 2-[1-(5-bromo-2-methyl-phenyl)-5-methyl-triazol-4-yl]acetic acid CAS Name: 2-[1-(5-bromo-2-methylphenyl)-5-methyl-4-triazolyl]acetic acid IUPAC Name: 2-[1-(5-bromo-2-methylphenyl)-5-methyltriazol-4-yl]acetic acid Traditional Name: 2-[1-(5-bromo-2-methyl-phenyl)-5-methyl-triazol-4-yl]acetic acid Formula: C12H12BrN3O2 MolecularWeight: 310.14658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2/c1-7-3-4-9(13)5-11(7)16-8(2)10(14-15-16)6-12(17)18/h3-5H,6H2,1-2H3,(H,17,18)