4-[1-(2-nitroimidazol-1-yl)ethoxy]but-2-yn-1-ol

Systemtic Name: 4-[1-(2-nitroimidazol-1-yl)ethoxy]but-2-yn-1-ol Openeye Name: 4-[1-(2-nitroimidazol-1-yl)ethoxy]but-2-yn-1-ol CAS Name: 4-[1-(2-nitro-1-imidazolyl)ethoxy]-2-butyn-1-ol IUPAC Name: 4-[1-(2-nitroimidazol-1-yl)ethoxy]but-2-yn-1-ol Traditional Name: 4-[1-(2-nitroimidazol-1-yl)ethoxy]but-2-yn-1-ol Formula: C9H11N3O4 MolecularWeight: 225.20134

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C=CN=C1[N+](=O)[O-])OCC#CCO

Isomeric SMILES

CC(N1C=CN=C1[N+](=O)[O-])OCC#CCO

InChI

InChI=1S/C9H11N3O4/c1-8(16-7-3-2-6-13)11-5-4-10-9(11)12(14)15/h4-5,8,13H,6-7H2,1H3