5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-nitro-1-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]isatin Formula: C20H18F3N4O4+ MolecularWeight: 435.37653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H17F3N4O4/c21-20(22,23)13-2-1-3-14(10-13)25-8-6-24(7-9-25)12-26-17-5-4-15(27(30)31)11-16(17)18(28)19(26)29/h1-5,10-11H,6-9,12H2/p+1