4-[4,5-bis(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[4,5-bis(hydroxymethyl)-2-oxidanylidene-pyridin-1-yl]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[4,5-bis(hydroxymethyl)-2-oxo-1-pyridyl]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[4,5-bis(hydroxymethyl)-2-oxo-1-pyridinyl]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[4,5-bis(hydroxymethyl)-2-oxopyridin-1-yl]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(2-keto-4,5-dimethylol-1-pyridyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C19H20N2O5 MolecularWeight: 356.3725

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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)CO)CO)O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O5/c1-19(2)18(25)17(14-5-11(7-20)3-4-15(14)26-19)21-8-13(10-23)12(9-22)6-16(21)24/h3-6,8,17-18,22-23,25H,9-10H2,1-2H3