(4-methylpiperazin-1-yl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[3-nitro-5-(trifluoromethyl)phenyl]methanone Traditional Name: (4-methylpiperazino)-[3-nitro-5-(trifluoromethyl)phenyl]methanone Formula: C13H14F3N3O3 MolecularWeight: 317.26377

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3/c1-17-2-4-18(5-3-17)12(20)9-6-10(13(14,15)16)8-11(7-9)19(21)22/h6-8H,2-5H2,1H3