2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-nitro-benzoic acid

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-nitro-benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-nitro-benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-nitrobenzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-nitrobenzoic acid Traditional Name: 4-nitro-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C13H8N4O6S2 MolecularWeight: 380.35582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H8N4O6S2/c18-13(19)8-5-4-7(17(20)21)6-10(8)16-25(22,23)11-3-1-2-9-12(11)15-24-14-9/h1-6,16H,(H,18,19)