ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCC=C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)OCC=C

InChI

InChI=1S/C20H17NO5/c1-3-11-25-20(23)16(13-21)12-17-9-10-18(26-17)14-5-7-15(8-6-14)19(22)24-4-2/h3,5-10,12H,1,4,11H2,2H3/b16-12+