4-(2-methyl-5-nitro-imidazol-1-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methyl-5-nitro-imidazol-1-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-5-nitro-imidazol-1-yl)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-5-nitro-1-imidazolyl)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-5-nitroimidazol-1-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(2-methyl-5-nitro-imidazol-1-yl)butyric acid Formula: C8H9N3O5 MolecularWeight: 227.17416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1C(=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1C(=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H9N3O5/c1-5-9-4-6(11(15)16)10(5)7(12)2-3-8(13)14/h4H,2-3H2,1H3,(H,13,14)