[5-(hydroxymethyl)-2-methyl-pyridin-3-yl] (E)-but-2-enoate

Systemtic Name: [5-(hydroxymethyl)-2-methyl-pyridin-3-yl] (E)-but-2-enoate Openeye Name: [5-(hydroxymethyl)-2-methyl-3-pyridyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid [5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [5-(hydroxymethyl)-2-methylpyridin-3-yl] (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid (2-methyl-5-methylol-3-pyridyl) ester Formula: C11H13NO3 MolecularWeight: 207.22582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)OC1=C(N=CC(=C1)CO)C

Isomeric SMILES

C/C=C/C(=O)OC1=C(N=CC(=C1)CO)C

InChI

InChI=1S/C11H13NO3/c1-3-4-11(14)15-10-5-9(7-13)6-12-8(10)2/h3-6,13H,7H2,1-2H3/b4-3+