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

Systemtic Name: 2-[3-(5-bromanyl-2-methyl-phenyl)-1,2,3-triazol-4-yl]ethanoic acid Openeye Name: 2-[3-(5-bromo-2-methyl-phenyl)triazol-4-yl]acetic acid CAS Name: 2-[3-(5-bromo-2-methylphenyl)-4-triazolyl]acetic acid IUPAC Name: 2-[3-(5-bromo-2-methylphenyl)triazol-4-yl]acetic acid Traditional Name: 2-[3-(5-bromo-2-methyl-phenyl)triazol-4-yl]acetic acid Formula: C11H10BrN3O2 MolecularWeight: 296.12

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10BrN3O2/c1-7-2-3-8(12)4-10(7)15-9(5-11(16)17)6-13-14-15/h2-4,6H,5H2,1H3,(H,16,17)