O2-[(4-bromanyl-2-fluoranyl-phenyl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(4-bromanyl-2-fluoranyl-phenyl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(4-bromo-2-fluoro-phenyl)methyl] O4-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(4-bromo-2-fluorophenyl)methyl] ester O4-ethyl ester IUPAC Name: 2-O-[(4-bromo-2-fluorophenyl)methyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-(4-bromo-2-fluoro-benzyl) ester O4-ethyl ester Formula: C17H17BrFNO4 MolecularWeight: 398.223583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=C(C=C(C=C2)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=C(C=C(C=C2)Br)F)C

InChI

InChI=1S/C17H17BrFNO4/c1-4-23-16(21)14-9(2)15(20-10(14)3)17(22)24-8-11-5-6-12(18)7-13(11)19/h5-7,20H,4,8H2,1-3H3