1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethyloxy)phenoxy]indole-2-carboxylic acid

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethyloxy)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethoxy)phenoxy]indole-2-carboxylic acid CAS Name: 1-(4-methyl-3-nitrophenyl)-5-[3-(trifluoromethoxy)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-methyl-3-nitrophenyl)-5-[3-(trifluoromethoxy)phenoxy]indole-2-carboxylic acid Traditional Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethoxy)phenoxy]indole-2-carboxylic acid Formula: C23H15F3N2O6 MolecularWeight: 472.37021

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC(=CC=C4)OC(F)(F)F)C=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=C(C=C(C=C3)OC4=CC(=CC=C4)OC(F)(F)F)C=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C23H15F3N2O6/c1-13-5-6-15(11-20(13)28(31)32)27-19-8-7-17(9-14(19)10-21(27)22(29)30)33-16-3-2-4-18(12-16)34-23(24,25)26/h2-12H,1H3,(H,29,30)