5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione

Systemtic Name: 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione Openeye Name: 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindoline-1,3-dione CAS Name: 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione IUPAC Name: 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindole-1,3-dione Traditional Name: 5-(4-nitrophenoxy)-2-[3-(trifluoromethyl)phenyl]isoindoline-1,3-quinone Formula: C21H11F3N2O5 MolecularWeight: 428.31765

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C21H11F3N2O5/c22-21(23,24)12-2-1-3-14(10-12)25-19(27)17-9-8-16(11-18(17)20(25)28)31-15-6-4-13(5-7-15)26(29)30/h1-11H