5-acetamido-4-nitro-1,2-thiazole-3-carboxylic acid

Systemtic Name: 5-acetamido-4-nitro-1,2-thiazole-3-carboxylic acid Openeye Name: 5-acetamido-4-nitro-isothiazole-3-carboxylic acid CAS Name: 5-acetamido-4-nitro-3-isothiazolecarboxylic acid IUPAC Name: 5-acetamido-4-nitro-1,2-thiazole-3-carboxylic acid Traditional Name: 5-acetamido-4-nitro-isothiazole-3-carboxylic acid Formula: C6H5N3O5S MolecularWeight: 231.186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=NS1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C(=NS1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C6H5N3O5S/c1-2(10)7-5-4(9(13)14)3(6(11)12)8-15-5/h1H3,(H,7,10)(H,11,12)