6-[bis(oxidanyl)methylidene]-2-(3-nitrothiophen-2-yl)-3-prop-2-enyl-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-(3-nitrothiophen-2-yl)-3-prop-2-enyl-pyrimidine-4,5-dione Openeye Name: 3-allyl-6-(dihydroxymethylene)-2-(3-nitro-2-thienyl)pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-(3-nitro-2-thiophenyl)-3-prop-2-enylpyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-(3-nitrothiophen-2-yl)-3-prop-2-enylpyrimidine-4,5-dione Traditional Name: 3-allyl-6-(dihydroxymethylene)-2-(3-nitro-2-thienyl)pyrimidine-4,5-quinone Formula: C12H9N3O6S MolecularWeight: 323.28136

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NC(=C(O)O)C(=O)C1=O)C2=C(C=CS2)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NC(=C(O)O)C(=O)C1=O)C2=C(C=CS2)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O6S/c1-2-4-14-10(9-6(15(20)21)3-5-22-9)13-7(12(18)19)8(16)11(14)17/h2-3,5,18-19H,1,4H2