dimethyl 1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate

Systemtic Name: dimethyl 1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate CAS Name: 1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-(4-chlorophenyl)-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate Traditional Name: 1-(4-chlorophenyl)-2,2-bis(trifluoromethyl)-3-pyrroline-3,4-dicarboxylic acid dimethyl ester Formula: C16H12ClF6NO4 MolecularWeight: 431.714199

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(N(C1)C2=CC=C(C=C2)Cl)(C(F)(F)F)C(F)(F)F)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(N(C1)C2=CC=C(C=C2)Cl)(C(F)(F)F)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C16H12ClF6NO4/c1-27-12(25)10-7-24(9-5-3-8(17)4-6-9)14(15(18,19)20,16(21,22)23)11(10)13(26)28-2/h3-6H,7H2,1-2H3