3-(2-methyl-5-nitro-imidazol-1-yl)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(2-methyl-5-nitro-imidazol-1-yl)-3-oxidanylidene-propanoic acid Openeye Name: 3-(2-methyl-5-nitro-imidazol-1-yl)-3-oxo-propanoic acid CAS Name: 3-(2-methyl-5-nitro-1-imidazolyl)-3-oxopropanoic acid IUPAC Name: 3-(2-methyl-5-nitroimidazol-1-yl)-3-oxopropanoic acid Traditional Name: 3-keto-3-(2-methyl-5-nitro-imidazol-1-yl)propionic acid Formula: C7H7N3O5 MolecularWeight: 213.14758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7N3O5/c1-4-8-3-5(10(14)15)9(4)6(11)2-7(12)13/h3H,2H2,1H3,(H,12,13)