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

Systemtic Name: 4-azanyl-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]isoindoline-1,3-quinone Formula: C20H18F3N5O4 MolecularWeight: 449.38323

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18F3N5O4/c21-20(22,23)12-4-5-15(16(10-12)28(31)32)26-8-6-25(7-9-26)11-27-18(29)13-2-1-3-14(24)17(13)19(27)30/h1-5,10H,6-9,11,24H2