[4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-enyl]-2-methoxy-phenyl] 4-fluoranylbenzoate Openeye Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxo-pent-1-enyl]-2-methoxy-phenyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-4,4-dimethyl-3-oxopent-1-enyl]-2-methoxyphenyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(E)-2-cyano-3-keto-4,4-dimethyl-pent-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20FNO4 MolecularWeight: 381.396903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20FNO4/c1-22(2,3)20(25)16(13-24)11-14-5-10-18(19(12-14)27-4)28-21(26)15-6-8-17(23)9-7-15/h5-12H,1-4H3/b16-11+