1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]ethanone Formula: C13H13F3N4O5 MolecularWeight: 362.26133

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N4O5/c1-8(21)17-2-4-18(5-3-17)12-10(19(22)23)6-9(13(14,15)16)7-11(12)20(24)25/h6-7H,2-5H2,1H3