3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoate

Systemtic Name: 3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoate Openeye Name: 3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoate CAS Name: 3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]benzoate IUPAC Name: 3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzoate Traditional Name: 3,5-dinitro-2-[4-[3-(trifluoromethyl)phenyl]piperazino]benzoate Formula: C18H14F3N4O6- MolecularWeight: 439.32217

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C3=C(C=C(C=C3C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N4O6/c19-18(20,21)11-2-1-3-12(8-11)22-4-6-23(7-5-22)16-14(17(26)27)9-13(24(28)29)10-15(16)25(30)31/h1-3,8-10H,4-7H2,(H,26,27)/p-1