(2E,4E)-5-(4-butanoyloxyphenyl)-2-cyano-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-(4-butanoyloxyphenyl)-2-cyano-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-(4-butanoyloxyphenyl)-2-cyano-penta-2,4-dienoic acid CAS Name: (2E,4E)-2-cyano-5-[4-(1-oxobutoxy)phenyl]penta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-(4-butanoyloxyphenyl)-2-cyanopenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-(4-butyryloxyphenyl)-2-cyano-penta-2,4-dienoic acid Formula: C16H15NO4 MolecularWeight: 285.2946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C=CC=C(C#N)C(=O)O

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)/C=C/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C16H15NO4/c1-2-4-15(18)21-14-9-7-12(8-10-14)5-3-6-13(11-17)16(19)20/h3,5-10H,2,4H2,1H3,(H,19,20)/b5-3+,13-6+