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

Systemtic Name: dimethyl 1-phenyl-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate Openeye Name: dimethyl 1-phenyl-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate CAS Name: 1-phenyl-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-phenyl-5,5-bis(trifluoromethyl)-2H-pyrrole-3,4-dicarboxylate Traditional Name: 1-phenyl-2,2-bis(trifluoromethyl)-3-pyrroline-3,4-dicarboxylic acid dimethyl ester Formula: C16H13F6NO4 MolecularWeight: 397.269139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F6NO4/c1-26-12(24)10-8-23(9-6-4-3-5-7-9)14(15(17,18)19,16(20,21)22)11(10)13(25)27-2/h3-7H,8H2,1-2H3