methyl 4-[(1E,3E)-3-(3-cyanophenyl)-5-methoxy-5-oxidanylidene-penta-1,3-dienyl]benzoate

Systemtic Name: methyl 4-[(1E,3E)-3-(3-cyanophenyl)-5-methoxy-5-oxidanylidene-penta-1,3-dienyl]benzoate Openeye Name: methyl 4-[(1E,3E)-3-(3-cyanophenyl)-5-methoxy-5-oxo-penta-1,3-dienyl]benzoate CAS Name: 4-[(1E,3E)-3-(3-cyanophenyl)-5-methoxy-5-oxopenta-1,3-dienyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1E,3E)-3-(3-cyanophenyl)-5-methoxy-5-oxopenta-1,3-dienyl]benzoate Traditional Name: 4-[(1E,3E)-3-(3-cyanophenyl)-5-keto-5-methoxy-penta-1,3-dienyl]benzoic acid methyl ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C=CC1=CC=C(C=C1)C(=O)OC)C2=CC=CC(=C2)C#N

Isomeric SMILES

COC(=O)/C=C(\C=C\C1=CC=C(C=C1)C(=O)OC)/C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H17NO4/c1-25-20(23)13-19(18-5-3-4-16(12-18)14-22)11-8-15-6-9-17(10-7-15)21(24)26-2/h3-13H,1-2H3/b11-8+,19-13+