2-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]isoindole-1,3-dione IUPAC Name: 2-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-methyl-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C21H17F3N4O5 MolecularWeight: 462.37869

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17F3N4O5/c1-25-19(30)14-4-2-12(10-15(14)20(25)31)18(29)27-8-6-26(7-9-27)16-5-3-13(21(22,23)24)11-17(16)28(32)33/h2-5,10-11H,6-9H2,1H3