7-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1,4,7-dioxazonane-5,9-dione

Systemtic Name: 7-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methyl]-1,4,7-dioxazonane-5,9-dione Openeye Name: 7-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyl]-1,4,7-dioxazonane-5,9-dione CAS Name: 7-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,4,7-dioxazonane-5,9-dione IUPAC Name: 7-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl]-1,4,7-dioxazonane-5,9-dione Traditional Name: 7-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methyl]-1,4,7-dioxazonane-5,9-quinone Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CN2CC(=O)OCCOC(=O)C2)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CN2CC(=O)OCCOC(=O)C2)CO

InChI

InChI=1S/C14H18N2O6/c1-9-14(20)11(10(8-17)4-15-9)5-16-6-12(18)21-2-3-22-13(19)7-16/h4,17,20H,2-3,5-8H2,1H3