(3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: (3S)-3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C12H14F3N3O2 MolecularWeight: 289.25367

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O2/c1-8-7-17(5-4-16-8)10-3-2-9(12(13,14)15)6-11(10)18(19)20/h2-3,6,8,16H,4-5,7H2,1H3/t8-/m0/s1