2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]propanedioate

Systemtic Name: 2-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]propanedioate Openeye Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]propanedioate CAS Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]propanedioate IUPAC Name: 2-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]propanedioate Traditional Name: 2-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]malonate Formula: C11H11NO6-2 MolecularWeight: 253.20814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)CC(C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)CC(C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C11H13NO6/c1-5-9(14)8(4-13)6(3-12-5)2-7(10(15)16)11(17)18/h3,7,13-14H,2,4H2,1H3,(H,15,16)(H,17,18)/p-2