[2-(hydroxymethyl)-5-methyl-6-oxidanylidene-3-propyl-1H-pyridin-4-yl] ethanoate

Systemtic Name: [2-(hydroxymethyl)-5-methyl-6-oxidanylidene-3-propyl-1H-pyridin-4-yl] ethanoate Openeye Name: [2-(hydroxymethyl)-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate CAS Name: acetic acid [2-(hydroxymethyl)-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] ester IUPAC Name: [2-(hydroxymethyl)-5-methyl-6-oxo-3-propyl-1H-pyridin-4-yl] acetate Traditional Name: acetic acid (2-keto-3-methyl-6-methylol-5-propyl-1H-pyridin-4-yl) ester Formula: C12H17NO4 MolecularWeight: 239.26768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=O)C(=C1OC(=O)C)C)CO

Isomeric SMILES

CCCC1=C(NC(=O)C(=C1OC(=O)C)C)CO

InChI

InChI=1S/C12H17NO4/c1-4-5-9-10(6-14)13-12(16)7(2)11(9)17-8(3)15/h14H,4-6H2,1-3H3,(H,13,16)