2-bromanylethanoate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: 2-bromanylethanoate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: 2-bromoacetate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: 2-bromoacetate; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: 2-bromoacetate; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: 2-bromoacetate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C8H11BrN3O5- MolecularWeight: 309.09404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CCO)[N+](=O)[O-].C(C(=O)[O-])Br

Isomeric SMILES

CC1=NC=C(N1CCO)[N+](=O)[O-].C(C(=O)[O-])Br

InChI

InChI=1S/C6H9N3O3.C2H3BrO2/c1-5-7-4-6(9(11)12)8(5)2-3-10;3-1-2(4)5/h4,10H,2-3H2,1H3;1H2,(H,4,5)/p-1