5-nitro-1,2-benzothiazole-3-carboxylic acid

Systemtic Name: 5-nitro-1,2-benzothiazole-3-carboxylic acid Openeye Name: 5-nitro-1,2-benzothiazole-3-carboxylic acid CAS Name: 5-nitro-1,2-benzothiazole-3-carboxylic acid IUPAC Name: 5-nitro-1,2-benzothiazole-3-carboxylic acid Traditional Name: 5-nitro-1,2-benzothiazole-3-carboxylic acid Formula: C8H4N2O4S MolecularWeight: 224.19336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=NS2)C(=O)O

InChI

InChI=1S/C8H4N2O4S/c11-8(12)7-5-3-4(10(13)14)1-2-6(5)15-9-7/h1-3H,(H,11,12)