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

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Openeye Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid CAS Name: 1-(4-methyl-3-nitrophenyl)-5-[3-(trifluoromethyl)phenoxy]-2-indolecarboxylic acid IUPAC Name: 1-(4-methyl-3-nitrophenyl)-5-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Traditional Name: 1-(4-methyl-3-nitro-phenyl)-5-[3-(trifluoromethyl)phenoxy]indole-2-carboxylic acid Formula: C23H15F3N2O5 MolecularWeight: 456.37081

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H15F3N2O5/c1-13-5-6-16(12-20(13)28(31)32)27-19-8-7-18(9-14(19)10-21(27)22(29)30)33-17-4-2-3-15(11-17)23(24,25)26/h2-12H,1H3,(H,29,30)