3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-1H-pyrimidin-3-ium-6-one

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-1H-pyrimidin-3-ium-6-one Openeye Name: 3-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-1H-pyrimidin-3-ium-6-one CAS Name: 3-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-one IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]-1H-pyrimidin-3-ium-6-one Traditional Name: 3-[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]-1H-pyrimidin-3-ium-6-one Formula: C12H11N2O4+ MolecularWeight: 247.22674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C[N+]2=CNC(=O)C=C2)O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C[N+]2=CNC(=O)C=C2)O)O

InChI

InChI=1S/C12H10N2O4/c15-9-2-1-8(5-10(9)16)11(17)6-14-4-3-12(18)13-7-14/h1-5,7H,6H2,(H2,15,16,17)/p+1