6-[bis(oxidanyl)methylidene]-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-dione

Systemtic Name: 6-[bis(oxidanyl)methylidene]-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-dione Openeye Name: 6-(dihydroxymethylene)-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-dione CAS Name: 6-(dihydroxymethylidene)-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-dione IUPAC Name: 6-(dihydroxymethylidene)-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-dione Traditional Name: 6-(dihydroxymethylene)-2-(3-ethynylphenyl)-1H-pyrimidine-4,5-quinone Formula: C13H8N2O4 MolecularWeight: 256.21362

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C2=NC(=O)C(=O)C(=C(O)O)N2

Isomeric SMILES

C#CC1=CC(=CC=C1)C2=NC(=O)C(=O)C(=C(O)O)N2

InChI

InChI=1S/C13H8N2O4/c1-2-7-4-3-5-8(6-7)11-14-9(13(18)19)10(16)12(17)15-11/h1,3-6,18-19H,(H,14,15,17)