1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C19H18F3N3O4 MolecularWeight: 409.35913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H18F3N3O4/c20-19(21,22)14-2-1-3-15(9-14)24-6-4-23(5-7-24)11-13-8-17-18(29-12-28-17)10-16(13)25(26)27/h1-3,8-10H,4-7,11-12H2