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

Systemtic Name: tert-butyl [4-[(E)-2-cyano-3-[(2-fluorophenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] carbonate Openeye Name: tert-butyl [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] carbonate CAS Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: tert-butyl [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] carbonate Traditional Name: carbonic acid tert-butyl [4-[(E)-2-cyano-3-(2-fluoroanilino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H21FN2O5 MolecularWeight: 412.410943

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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)NC2=CC=CC=C2F)OC

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2F)OC

InChI

InChI=1S/C22H21FN2O5/c1-22(2,3)30-21(27)29-18-10-9-14(12-19(18)28-4)11-15(13-24)20(26)25-17-8-6-5-7-16(17)23/h5-12H,1-4H3,(H,25,26)/b15-11+