2-(2-methyl-5-nitro-imidazol-1-yl)ethanoic acid

Systemtic Name: 2-(2-methyl-5-nitro-imidazol-1-yl)ethanoic acid Openeye Name: 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid CAS Name: 2-(2-methyl-5-nitro-1-imidazolyl)acetic acid IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)acetic acid Traditional Name: 2-(2-methyl-5-nitro-imidazol-1-yl)acetic acid Formula: C6H7N3O4 MolecularWeight: 185.13748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O4/c1-4-7-2-5(9(12)13)8(4)3-6(10)11/h2H,3H2,1H3,(H,10,11)