1-(4-nitro-2,1,3-benzothiadiazol-5-yl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-nitro-2,1,3-benzothiadiazol-5-yl)piperidine-4-carboxylic acid Openeye Name: 1-(4-nitro-2,1,3-benzothiadiazol-5-yl)piperidine-4-carboxylic acid CAS Name: 1-(4-nitro-2,1,3-benzothiadiazol-5-yl)-4-piperidinecarboxylic acid IUPAC Name: 1-(4-nitro-2,1,3-benzothiadiazol-5-yl)piperidine-4-carboxylic acid Traditional Name: 1-(4-nitropiazthiol-5-yl)isonipecotic acid Formula: C12H12N4O4S MolecularWeight: 308.31308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)O)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O4S/c17-12(18)7-3-5-15(6-4-7)9-2-1-8-10(14-21-13-8)11(9)16(19)20/h1-2,7H,3-6H2,(H,17,18)