ditert-butyl 4-ethoxy-1-(2-fluorophenyl)-5-oxidanylidene-2H-pyrrole-2,3-dicarboxylate

Systemtic Name: ditert-butyl 4-ethoxy-1-(2-fluorophenyl)-5-oxidanylidene-2H-pyrrole-2,3-dicarboxylate Openeye Name: ditert-butyl 4-ethoxy-1-(2-fluorophenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylate CAS Name: 4-ethoxy-1-(2-fluorophenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-ethoxy-1-(2-fluorophenyl)-5-oxo-2H-pyrrole-2,3-dicarboxylate Traditional Name: 4-ethoxy-1-(2-fluorophenyl)-5-keto-3-pyrroline-2,3-dicarboxylic acid ditert-butyl ester Formula: C22H28FNO6 MolecularWeight: 421.459223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(N(C1=O)C2=CC=CC=C2F)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=C(C(N(C1=O)C2=CC=CC=C2F)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H28FNO6/c1-8-28-17-15(19(26)29-21(2,3)4)16(20(27)30-22(5,6)7)24(18(17)25)14-12-10-9-11-13(14)23/h9-12,16H,8H2,1-7H3