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

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-prop-2-enoxy-prop-1-enyl]-2-methoxy-phenyl] 2-fluoranylbenzoate Openeye Name: [4-[(E)-3-allyloxy-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-prop-2-enoxyprop-1-enyl]-2-methoxyphenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [4-[(E)-3-allyloxy-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H16FNO5 MolecularWeight: 381.353843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC=C)OC(=O)C2=CC=CC=C2F

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OCC=C)OC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C21H16FNO5/c1-3-10-27-20(24)15(13-23)11-14-8-9-18(19(12-14)26-2)28-21(25)16-6-4-5-7-17(16)22/h3-9,11-12H,1,10H2,2H3/b15-11+