4-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione

Systemtic Name: 4-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-(trifluoromethyl)phenyl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[4-(trifluoromethyl)benzyl]isoindoline-1,3-quinone Formula: C16H9F3N2O4 MolecularWeight: 350.24887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C16H9F3N2O4/c17-16(18,19)10-6-4-9(5-7-10)8-20-14(22)11-2-1-3-12(21(24)25)13(11)15(20)23/h1-7H,8H2