4-[(1E,3Z)-4-cyano-5-ethoxy-5-oxidanylidene-3-phenyl-penta-1,3-dienyl]benzoate

Systemtic Name: 4-[(1E,3Z)-4-cyano-5-ethoxy-5-oxidanylidene-3-phenyl-penta-1,3-dienyl]benzoate Openeye Name: 4-[(1E,3Z)-4-cyano-5-ethoxy-5-oxo-3-phenyl-penta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3Z)-4-cyano-5-ethoxy-5-oxo-3-phenylpenta-1,3-dienyl]benzoate IUPAC Name: 4-[(1E,3Z)-4-cyano-5-ethoxy-5-oxo-3-phenylpenta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3Z)-4-cyano-5-ethoxy-5-keto-3-phenyl-penta-1,3-dienyl]benzoate Formula: C21H16NO4- MolecularWeight: 346.35604

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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=C/C1=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)/p-1/b13-10+,19-18-