1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(4-nitro-3-pyrrolidin-1-yl-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[4-nitro-3-(1-pyrrolidinyl)phenyl]-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(4-nitro-3-pyrrolidin-1-ylphenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-(4-nitro-3-pyrrolidino-phenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Formula: C21H22F3N5O4 MolecularWeight: 465.42569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC(=C2)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H22F3N5O4/c22-21(23,24)15-3-5-17(20(13-15)29(32)33)27-11-9-25(10-12-27)16-4-6-18(28(30)31)19(14-16)26-7-1-2-8-26/h3-6,13-14H,1-2,7-12H2