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

Systemtic Name: 4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C20H17F3N4O4 MolecularWeight: 434.36859

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O4/c21-20(22,23)13-3-1-4-14(11-13)25-9-7-24(8-10-25)12-26-18(28)15-5-2-6-16(27(30)31)17(15)19(26)29/h1-6,11H,7-10,12H2