(4-bromanyl-2-fluoranyl-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H15BrFNO3 MolecularWeight: 368.197603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C16H15BrFNO3/c1-8-14(10(3)20)9(2)19-15(8)16(21)22-7-11-4-5-12(17)6-13(11)18/h4-6,19H,7H2,1-3H3