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1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-[4-nitro-2-(trifluoromethyl)phenyl]piperazine
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CCN1CC2=CC3=C(C=C2Br)OCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F
Isomeric SMILES
C1CN(CCN1CC2=CC3=C(C=C2Br)OCO3)C4=C(C=C(C=C4)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C19H17BrF3N3O4/c20-15-9-18-17(29-11-30-18)7-12(15)10-24-3-5-25(6-4-24)16-2-1-13(26(27)28)8-14(16)19(21,22)23/h1-2,7-9H,3-6,10-11H2
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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- 2-[[4-ethyl-5-[[5-(4-methylphenyl)-1,2,3,4-tetrazol-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid
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