5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid

Systemtic Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Openeye Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid CAS Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid IUPAC Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid Traditional Name: 5-[2-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid Formula: C15H10F3NO5 MolecularWeight: 341.23881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(F)(F)F)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H10F3NO5/c1-8-6-9(15(16,17)18)2-5-13(8)24-10-3-4-12(19(22)23)11(7-10)14(20)21/h2-7H,1H3,(H,20,21)