N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide

Systemtic Name: N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide Openeye Name: N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide CAS Name: N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitro-2-imidazolyl]methanimine oxide IUPAC Name: N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methanimine oxide Traditional Name: N-(2-hydroxyethyl)-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide Formula: C8H12N4O5 MolecularWeight: 244.20468

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N(C(=N1)C=[N+](CCO)[O-])CCO)[N+](=O)[O-]

Isomeric SMILES

C1=C(N(C(=N1)/C=[N+](\CCO)/[O-])CCO)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O5/c13-3-1-10(15)6-7-9-5-8(12(16)17)11(7)2-4-14/h5-6,13-14H,1-4H2/b10-6+