1,3-benzodioxol-5-yl-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazino]methanone Formula: C19H15ClF3N3O5 MolecularWeight: 457.78771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H15ClF3N3O5/c20-13-9-14(15(26(28)29)8-12(13)19(21,22)23)24-3-5-25(6-4-24)18(27)11-1-2-16-17(7-11)31-10-30-16/h1-2,7-9H,3-6,10H2