1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-3-methyl-butan-1-one Formula: C16H19F3N4O5 MolecularWeight: 404.34107

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19F3N4O5/c1-10(2)7-14(24)20-3-5-21(6-4-20)15-12(22(25)26)8-11(16(17,18)19)9-13(15)23(27)28/h8-10H,3-7H2,1-2H3