tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] carbonate

Systemtic Name: tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] carbonate Openeye Name: tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] carbonate CAS Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] carbonate Traditional Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(2-fluorophenyl)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20FNO5 MolecularWeight: 397.396303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2F)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=CC=CC=C2F)OC

InChI

InChI=1S/C22H20FNO5/c1-22(2,3)29-21(26)28-18-10-9-14(12-19(18)27-4)11-15(13-24)20(25)16-7-5-6-8-17(16)23/h5-12H,1-4H3/b15-11+