2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylethanoic acid

Systemtic Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylethanoic acid Openeye Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylacetic acid CAS Name: 2-[(3-methyl-5-nitro-4-imidazolyl)sulfonyl]acetic acid IUPAC Name: 2-(3-methyl-5-nitroimidazol-4-yl)sulfonylacetic acid Traditional Name: 2-(3-methyl-5-nitro-imidazol-4-yl)sulfonylacetic acid Formula: C6H7N3O6S MolecularWeight: 249.20128

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1S(=O)(=O)CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1S(=O)(=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H7N3O6S/c1-8-3-7-5(9(12)13)6(8)16(14,15)2-4(10)11/h3H,2H2,1H3,(H,10,11)