2-(4-nitro-2,1,3-benzothiadiazol-7-yl)cyclohexane-1,3-dione

Systemtic Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)cyclohexane-1,3-dione Openeye Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)cyclohexane-1,3-dione CAS Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)cyclohexane-1,3-dione IUPAC Name: 2-(4-nitro-2,1,3-benzothiadiazol-7-yl)cyclohexane-1,3-dione Traditional Name: 2-(7-nitropiazthiol-4-yl)cyclohexane-1,3-quinone Formula: C12H9N3O4S MolecularWeight: 291.28256

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C(=O)C1)C2=CC=C(C3=NSN=C23)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)C(C(=O)C1)C2=CC=C(C3=NSN=C23)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O4S/c16-8-2-1-3-9(17)10(8)6-4-5-7(15(18)19)12-11(6)13-20-14-12/h4-5,10H,1-3H2