(E)-2-acetamido-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)acrylic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C=C(C(=O)O)NC(=O)C)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)/C=C(\C(=O)O)/NC(=O)C)CO

InChI

InChI=1S/C12H14N2O5/c1-6-11(17)9(8(5-15)4-13-6)3-10(12(18)19)14-7(2)16/h3-4,15,17H,5H2,1-2H3,(H,14,16)(H,18,19)/b10-3+