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

Systemtic Name: 4-nitro-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C20H16F3N5O6 MolecularWeight: 479.36615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3N5O6/c21-20(22,23)12-4-5-14(16(10-12)28(33)34)25-8-6-24(7-9-25)11-26-18(29)13-2-1-3-15(27(31)32)17(13)19(26)30/h1-5,10H,6-9,11H2