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

Systemtic Name: 2-(1-benzofuran-2-yl)-3,5-bis(1-methyl-1,2,3-triazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3,5-bis(1-methyltriazol-4-yl)-6-oxo-pyran-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3,5-bis(1-methyl-4-triazolyl)-6-oxo-4-pyrancarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3,5-bis(1-methyltriazol-4-yl)-6-oxopyran-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-6-keto-3,5-bis(1-methyltriazol-4-yl)pyran-4-carboxylic acid Formula: C20H14N6O5 MolecularWeight: 418.36236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=N1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CN(N=N5)C)C(=O)O

Isomeric SMILES

CN1C=C(N=N1)C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CN(N=N5)C)C(=O)O

InChI

InChI=1S/C20H14N6O5/c1-25-8-11(21-23-25)15-17(19(27)28)16(12-9-26(2)24-22-12)20(29)31-18(15)14-7-10-5-3-4-6-13(10)30-14/h3-9H,1-2H3,(H,27,28)