2-(1-benzofuran-2-yl)-3,5-bis(1-methylimidazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid

Systemtic Name: 2-(1-benzofuran-2-yl)-3,5-bis(1-methylimidazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3,5-bis(1-methylimidazol-4-yl)-6-oxo-pyran-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3,5-bis(1-methyl-4-imidazolyl)-6-oxo-4-pyrancarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3,5-bis(1-methylimidazol-4-yl)-6-oxopyran-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-6-keto-3,5-bis(1-methylimidazol-4-yl)pyran-4-carboxylic acid Formula: C22H16N4O5 MolecularWeight: 416.38624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CN(C=N5)C)C(=O)O

Isomeric SMILES

CN1C=C(N=C1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CN(C=N5)C)C(=O)O

InChI

InChI=1S/C22H16N4O5/c1-25-8-13(23-10-25)17-19(21(27)28)18(14-9-26(2)11-24-14)22(29)31-20(17)16-7-12-5-3-4-6-15(12)30-16/h3-11H,1-2H3,(H,27,28)