2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethanoate

Systemtic Name: 2-[3-(5-bromanylpyridin-3-yl)-1H-1,2,4-triazol-5-yl]ethanoate Openeye Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]acetate CAS Name: 2-[3-(5-bromo-3-pyridinyl)-1H-1,2,4-triazol-5-yl]acetate IUPAC Name: 2-[3-(5-bromopyridin-3-yl)-1H-1,2,4-triazol-5-yl]acetate Traditional Name: 2-[3-(5-bromo-3-pyridyl)-1H-1,2,4-triazol-5-yl]acetate Formula: C9H6BrN4O2- MolecularWeight: 282.07354

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1Br)C2=NNC(=N2)CC(=O)[O-]

Isomeric SMILES

C1=C(C=NC=C1Br)C2=NNC(=N2)CC(=O)[O-]

InChI

InChI=1S/C9H7BrN4O2/c10-6-1-5(3-11-4-6)9-12-7(13-14-9)2-8(15)16/h1,3-4H,2H2,(H,15,16)(H,12,13,14)/p-1