2-(4-nitroimidazol-1-yl)ethanoic acid

Systemtic Name: 2-(4-nitroimidazol-1-yl)ethanoic acid Openeye Name: 2-(4-nitroimidazol-1-yl)acetic acid CAS Name: 2-(4-nitro-1-imidazolyl)acetic acid IUPAC Name: 2-(4-nitroimidazol-1-yl)acetic acid Traditional Name: 2-(4-nitroimidazol-1-yl)acetic acid Formula: C5H5N3O4 MolecularWeight: 171.1109

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=CN1CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=C(N=CN1CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C5H5N3O4/c9-5(10)2-7-1-4(6-3-7)8(11)12/h1,3H,2H2,(H,9,10)