5,6-bis[[2-(trifluoromethyl)phenyl]amino]isoindole-1,3-dione

Systemtic Name: 5,6-bis[[2-(trifluoromethyl)phenyl]amino]isoindole-1,3-dione Openeye Name: 5,6-bis[2-(trifluoromethyl)anilino]isoindoline-1,3-dione CAS Name: 5,6-bis[2-(trifluoromethyl)anilino]isoindole-1,3-dione IUPAC Name: 5,6-bis[2-(trifluoromethyl)anilino]isoindole-1,3-dione Traditional Name: 5,6-bis[2-(trifluoromethyl)anilino]isoindoline-1,3-quinone Formula: C22H13F6N3O2 MolecularWeight: 465.347939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C=C3C(=C2)C(=O)NC3=O)NC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H13F6N3O2/c23-21(24,25)13-5-1-3-7-15(13)29-17-9-11-12(20(33)31-19(11)32)10-18(17)30-16-8-4-2-6-14(16)22(26,27)28/h1-10,29-30H,(H,31,32,33)