methyl 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate CAS Name: 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylate Traditional Name: 3,4-bis[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C20H13F6NO2 MolecularWeight: 413.313139

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C(=CN1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H13F6NO2/c1-29-18(28)17-16(12-4-8-14(9-5-12)20(24,25)26)15(10-27-17)11-2-6-13(7-3-11)19(21,22)23/h2-10,27H,1H3