2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethyl ethanoate

Systemtic Name: 2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethyl ethanoate Openeye Name: 2-[2-(hydroxymethyl)-5-nitro-imidazol-1-yl]ethyl acetate CAS Name: acetic acid 2-[2-(hydroxymethyl)-5-nitro-1-imidazolyl]ethyl ester IUPAC Name: 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethyl acetate Traditional Name: acetic acid 2-(2-methylol-5-nitro-imidazol-1-yl)ethyl ester Formula: C8H11N3O5 MolecularWeight: 229.19004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C(=CN=C1CO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OCCN1C(=CN=C1CO)[N+](=O)[O-]

InChI

InChI=1S/C8H11N3O5/c1-6(13)16-3-2-10-7(5-12)9-4-8(10)11(14)15/h4,12H,2-3,5H2,1H3