3-(1H-imidazol-2-yl)-3-nitro-2-oxidanylidene-propanoic acid

Systemtic Name: 3-(1H-imidazol-2-yl)-3-nitro-2-oxidanylidene-propanoic acid Openeye Name: 3-(1H-imidazol-2-yl)-3-nitro-2-oxo-propanoic acid CAS Name: 3-(1H-imidazol-2-yl)-3-nitro-2-oxopropanoic acid IUPAC Name: 3-(1H-imidazol-2-yl)-3-nitro-2-oxopropanoic acid Traditional Name: 3-(1H-imidazol-2-yl)-2-keto-3-nitro-propionic acid Formula: C6H5N3O5 MolecularWeight: 199.121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H5N3O5/c10-4(6(11)12)3(9(13)14)5-7-1-2-8-5/h1-3H,(H,7,8)(H,11,12)