3-[6-(1-benzofuran-2-yl)-3,5-dimethyl-pyrimidin-3-ium-4-yl]-2-oxidanylidene-pyran-4-carboxylic acid

Systemtic Name: 3-[6-(1-benzofuran-2-yl)-3,5-dimethyl-pyrimidin-3-ium-4-yl]-2-oxidanylidene-pyran-4-carboxylic acid Openeye Name: 3-[6-(benzofuran-2-yl)-3,5-dimethyl-pyrimidin-3-ium-4-yl]-2-oxo-pyran-4-carboxylic acid CAS Name: 3-[6-(2-benzofuranyl)-3,5-dimethyl-4-pyrimidin-3-iumyl]-2-oxo-4-pyrancarboxylic acid IUPAC Name: 3-[6-(1-benzofuran-2-yl)-3,5-dimethylpyrimidin-3-ium-4-yl]-2-oxopyran-4-carboxylic acid Traditional Name: 3-[6-(benzofuran-2-yl)-3,5-dimethyl-pyrimidin-3-ium-4-yl]-2-keto-pyran-4-carboxylic acid Formula: C20H15N2O5+ MolecularWeight: 363.3435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C[N+](=C1C2=C(C=COC2=O)C(=O)O)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(N=C[N+](=C1C2=C(C=COC2=O)C(=O)O)C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H14N2O5/c1-11-17(15-9-12-5-3-4-6-14(12)27-15)21-10-22(2)18(11)16-13(19(23)24)7-8-26-20(16)25/h3-10H,1-2H3/p+1