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

Systemtic Name: 3-methyl-4-nitro-1,2-thiazole-5-carboxylic acid Openeye Name: 3-methyl-4-nitro-isothiazole-5-carboxylic acid CAS Name: 3-methyl-4-nitro-5-isothiazolecarboxylic acid IUPAC Name: 3-methyl-4-nitro-1,2-thiazole-5-carboxylic acid Traditional Name: 3-methyl-4-nitro-isothiazole-5-carboxylic acid Formula: C5H4N2O4S MolecularWeight: 188.16126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=NSC(=C1[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C5H4N2O4S/c1-2-3(7(10)11)4(5(8)9)12-6-2/h1H3,(H,8,9)