1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-4-piperonyl-piperazine Formula: C19H18F3N3O4 MolecularWeight: 409.35913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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