2,6-dimethyl-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]quinoline-4-carboxamide

Systemtic Name: 2,6-dimethyl-N-[2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethyl]quinoline-4-carboxamide Openeye Name: 2,6-dimethyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide CAS Name: 2,6-dimethyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]-4-quinolinecarboxamide IUPAC Name: 2,6-dimethyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]quinoline-4-carboxamide Traditional Name: 2,6-dimethyl-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]cinchoninamide Formula: C21H19F3N4O3 MolecularWeight: 432.39577

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCCNC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H19F3N4O3/c1-12-3-5-17-15(9-12)16(10-13(2)27-17)20(29)26-8-7-25-18-6-4-14(21(22,23)24)11-19(18)28(30)31/h3-6,9-11,25H,7-8H2,1-2H3,(H,26,29)