ethyl (E)-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoate hydrochloride

Systemtic Name: ethyl (E)-3-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]prop-2-enoate hydrochloride Openeye Name: ethyl (E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]prop-2-enoate hydrochloride CAS Name: (E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]-2-propenoic acid ethyl ester hydrochloride IUPAC Name: ethyl (E)-3-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]prop-2-enoate hydrochloride Traditional Name: (E)-3-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)acrylic acid ethyl ester hydrochloride Formula: C12H16ClNO4 MolecularWeight: 273.71274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=NC=C1CO)C)O.Cl

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=NC=C1CO)C)O.Cl

InChI

InChI=1S/C12H15NO4.ClH/c1-3-17-11(15)5-4-10-9(7-14)6-13-8(2)12(10)16;/h4-6,14,16H,3,7H2,1-2H3;1H/b5-4+;