4-(4-cyano-5-ethoxy-5-oxidanylidene-3-phenyl-penta-1,3-dienyl)benzoic acid

Systemtic Name: 4-(4-cyano-5-ethoxy-5-oxidanylidene-3-phenyl-penta-1,3-dienyl)benzoic acid Openeye Name: 4-(4-cyano-5-ethoxy-5-oxo-3-phenyl-penta-1,3-dienyl)benzoic acid CAS Name: 4-(4-cyano-5-ethoxy-5-oxo-3-phenylpenta-1,3-dienyl)benzoic acid IUPAC Name: 4-(4-cyano-5-ethoxy-5-oxo-3-phenylpenta-1,3-dienyl)benzoic acid Traditional Name: 4-(4-cyano-5-ethoxy-5-keto-3-phenyl-penta-1,3-dienyl)benzoic acid Formula: C21H17NO4 MolecularWeight: 347.36398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C=CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)C(=C(C=CC1=CC=C(C=C1)C(=O)O)C2=CC=CC=C2)C#N

InChI

InChI=1S/C21H17NO4/c1-2-26-21(25)19(14-22)18(16-6-4-3-5-7-16)13-10-15-8-11-17(12-9-15)20(23)24/h3-13H,2H2,1H3,(H,23,24)