1-(6-cyano-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl)-6-oxidanylidene-pyridine-3-carboxylic acid

Systemtic Name: 1-(6-cyano-2,2,3-trimethyl-3-oxidanyl-4H-chromen-4-yl)-6-oxidanylidene-pyridine-3-carboxylic acid Openeye Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-chroman-4-yl)-6-oxo-pyridine-3-carboxylic acid CAS Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-6-oxo-3-pyridinecarboxylic acid IUPAC Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-4H-chromen-4-yl)-6-oxopyridine-3-carboxylic acid Traditional Name: 1-(6-cyano-3-hydroxy-2,2,3-trimethyl-chroman-4-yl)-6-keto-nicotinic acid Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)C(=O)O)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C=CC3=O)C(=O)O)(C)O)C

InChI

InChI=1S/C19H18N2O5/c1-18(2)19(3,25)16(13-8-11(9-20)4-6-14(13)26-18)21-10-12(17(23)24)5-7-15(21)22/h4-8,10,16,25H,1-3H3,(H,23,24)