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

Systemtic Name: 2-(1-benzofuran-2-yl)-3,5-bis(3-methyl-1,2-oxazol-4-yl)-6-oxidanylidene-pyran-4-carboxylic acid Openeye Name: 2-(benzofuran-2-yl)-3,5-bis(3-methylisoxazol-4-yl)-6-oxo-pyran-4-carboxylic acid CAS Name: 2-(2-benzofuranyl)-3,5-bis(3-methyl-4-isoxazolyl)-6-oxo-4-pyrancarboxylic acid IUPAC Name: 2-(1-benzofuran-2-yl)-3,5-bis(3-methyl-1,2-oxazol-4-yl)-6-oxopyran-4-carboxylic acid Traditional Name: 2-(benzofuran-2-yl)-6-keto-3,5-bis(3-methylisoxazol-4-yl)pyran-4-carboxylic acid Formula: C22H14N2O7 MolecularWeight: 418.35576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC=C1C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CON=C5C)C(=O)O

Isomeric SMILES

CC1=NOC=C1C2=C(C(=C(OC2=O)C3=CC4=CC=CC=C4O3)C5=CON=C5C)C(=O)O

InChI

InChI=1S/C22H14N2O7/c1-10-13(8-28-23-10)17-19(21(25)26)18(14-9-29-24-11(14)2)22(27)31-20(17)16-7-12-5-3-4-6-15(12)30-16/h3-9H,1-2H3,(H,25,26)