2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]pentanedioic acid

Systemtic Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methyl]amino]pentanedioic acid Openeye Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methyl]amino]pentanedioic acid CAS Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methyl]amino]pentanedioic acid IUPAC Name: 2-[[(E)-[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]amino]pentanedioic acid Traditional Name: 2-[[(E)-(3-keto-2-methyl-5-methylol-4-pyridylidene)methyl]amino]glutaric acid Formula: C13H16N2O6 MolecularWeight: 296.27594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNC(CCC(=O)O)C(=O)O)C1=O)CO

Isomeric SMILES

CC1=NC=C(/C(=C\NC(CCC(=O)O)C(=O)O)/C1=O)CO

InChI

InChI=1S/C13H16N2O6/c1-7-12(19)9(8(6-16)4-14-7)5-15-10(13(20)21)2-3-11(17)18/h4-5,10,15-16H,2-3,6H2,1H3,(H,17,18)(H,20,21)/b9-5+