(2E)-3-oxidanylidene-4-propoxy-2-(pyridin-2-ylmethylidene)butanoic acid

Systemtic Name: (2E)-3-oxidanylidene-4-propoxy-2-(pyridin-2-ylmethylidene)butanoic acid Openeye Name: (2E)-3-oxo-4-propoxy-2-(2-pyridylmethylene)butanoic acid CAS Name: (2E)-3-oxo-4-propoxy-2-(2-pyridinylmethylidene)butanoic acid IUPAC Name: (2E)-3-oxo-4-propoxy-2-(pyridin-2-ylmethylidene)butanoic acid Traditional Name: (E)-2-(2-propoxyacetyl)-3-(2-pyridyl)acrylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCC(=O)C(=CC1=CC=CC=N1)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-7-18-9-12(15)11(13(16)17)8-10-5-3-4-6-14-10/h3-6,8H,2,7,9H2,1H3,(H,16,17)/b11-8+