[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C21H18FNO5 MolecularWeight: 383.369723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H18FNO5/c1-3-26-19-12-14(11-16(13-23)20(24)27-4-2)5-10-18(19)28-21(25)15-6-8-17(22)9-7-15/h5-12H,3-4H2,1-2H3/b16-11+