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4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]phenol
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CCN1CC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC(=C3)C(F)(F)F
Isomeric SMILES
C1CN(CCN1CC2=C(C=CC(=C2)[N+](=O)[O-])O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H18F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-16(24(26)27)4-5-17(13)25/h1-5,10-11,25H,6-9,12H2
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