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

Systemtic Name: 4-nitro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-nitro-2-[[3-(trifluoromethyl)-1-piperidyl]methyl]isoindoline-1,3-dione CAS Name: 4-nitro-2-[[3-(trifluoromethyl)-1-piperidinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-nitro-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-nitro-2-[[3-(trifluoromethyl)piperidino]methyl]isoindoline-1,3-quinone Formula: C15H14F3N3O4 MolecularWeight: 357.28457

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H14F3N3O4/c16-15(17,18)9-3-2-6-19(7-9)8-20-13(22)10-4-1-5-11(21(24)25)12(10)14(20)23/h1,4-5,9H,2-3,6-8H2