6-[bis(oxidanyl)methylidene]-2-(4-nitrothiophen-2-yl)-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-(4-nitrothiophen-2-yl)-1H-pyrimidine-4,5-dione Openeye Name: 6-(dihydroxymethylene)-2-(4-nitro-2-thienyl)-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-(4-nitro-2-thiophenyl)-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-(4-nitrothiophen-2-yl)-1H-pyrimidine-4,5-dione Traditional Name: 6-(dihydroxymethylene)-2-(4-nitro-2-thienyl)-1H-pyrimidine-4,5-quinone Formula: C9H5N3O6S MolecularWeight: 283.2175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC=C1[N+](=O)[O-])C2=NC(=O)C(=O)C(=C(O)O)N2

Isomeric SMILES

C1=C(SC=C1[N+](=O)[O-])C2=NC(=O)C(=O)C(=C(O)O)N2

InChI

InChI=1S/C9H5N3O6S/c13-6-5(9(15)16)10-7(11-8(6)14)4-1-3(2-19-4)12(17)18/h1-2,15-16H,(H,10,11,14)