(2E)-2-[[6-(hydroxymethyl)-3-oxidanyl-pyridin-2-yl]methylidene]butanoic acid

Systemtic Name: (2E)-2-[[6-(hydroxymethyl)-3-oxidanyl-pyridin-2-yl]methylidene]butanoic acid Openeye Name: (2E)-2-[[3-hydroxy-6-(hydroxymethyl)-2-pyridyl]methylene]butanoic acid CAS Name: (2E)-2-[[3-hydroxy-6-(hydroxymethyl)-2-pyridinyl]methylidene]butanoic acid IUPAC Name: (2E)-2-[[3-hydroxy-6-(hydroxymethyl)pyridin-2-yl]methylidene]butanoic acid Traditional Name: (E)-2-ethyl-3-(3-hydroxy-6-methylol-2-pyridyl)acrylic acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=C(C=CC(=N1)CO)O)C(=O)O

Isomeric SMILES

CC/C(=C\C1=C(C=CC(=N1)CO)O)/C(=O)O

InChI

InChI=1S/C11H13NO4/c1-2-7(11(15)16)5-9-10(14)4-3-8(6-13)12-9/h3-5,13-14H,2,6H2,1H3,(H,15,16)/b7-5+