5-[2,6-bis(fluoranyl)phenyl]-2-(4-bromophenyl)-3,4-dihydro-2H-pyrrole-3-carboxylate

Systemtic Name: 5-[2,6-bis(fluoranyl)phenyl]-2-(4-bromophenyl)-3,4-dihydro-2H-pyrrole-3-carboxylate Openeye Name: 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole-3-carboxylate CAS Name: 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole-3-carboxylate IUPAC Name: 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole-3-carboxylate Traditional Name: 2-(4-bromophenyl)-5-(2,6-difluorophenyl)-1-pyrroline-3-carboxylate Formula: C17H11BrF2NO2- MolecularWeight: 379.175546

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(N=C1C2=C(C=CC=C2F)F)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1C(C(N=C1C2=C(C=CC=C2F)F)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C17H12BrF2NO2/c18-10-6-4-9(5-7-10)16-11(17(22)23)8-14(21-16)15-12(19)2-1-3-13(15)20/h1-7,11,16H,8H2,(H,22,23)/p-1