ethyl 3,5-dimethyl-4-[2,2,2-tris(fluoranyl)ethanoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[2,2,2-tris(fluoranyl)ethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-(2,2,2-trifluoro-1-oxoethyl)-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-(2,2,2-trifluoroacetyl)-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C11H12F3NO3 MolecularWeight: 263.21309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C(F)(F)F)C

InChI

InChI=1S/C11H12F3NO3/c1-4-18-10(17)8-5(2)7(6(3)15-8)9(16)11(12,13)14/h15H,4H2,1-3H3