3-oxidanylidene-3-[(E)-5-pyridin-3-ylpent-4-enoxy]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[(E)-5-pyridin-3-ylpent-4-enoxy]propanoic acid Openeye Name: 3-oxo-3-[(E)-5-(3-pyridyl)pent-4-enoxy]propanoic acid CAS Name: 3-oxo-3-[(E)-5-(3-pyridinyl)pent-4-enoxy]propanoic acid IUPAC Name: 3-oxo-3-[(E)-5-pyridin-3-ylpent-4-enoxy]propanoic acid Traditional Name: 3-keto-3-[(E)-5-(3-pyridyl)pent-4-enoxy]propionic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C=CCCCOC(=O)CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)/C=C/CCCOC(=O)CC(=O)O

InChI

InChI=1S/C13H15NO4/c15-12(16)9-13(17)18-8-3-1-2-5-11-6-4-7-14-10-11/h2,4-7,10H,1,3,8-9H2,(H,15,16)/b5-2+