butyl 3-[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: butyl 3-[5-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: butyl 3-[5-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 3-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-furanyl]benzoic acid butyl ester IUPAC Name: butyl 3-[5-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-furyl]benzoic acid butyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5/c1-3-5-11-26-20(23)16-8-6-7-15(12-16)19-10-9-18(27-19)13-17(14-22)21(24)25-4-2/h6-10,12-13H,3-5,11H2,1-2H3/b17-13+