2-[5-chloranyl-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid

Systemtic Name: 2-[5-chloranyl-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid Openeye Name: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid CAS Name: 2-[5-chloro-4-[dimethylamino(oxo)methoxy]-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoic acid IUPAC Name: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitrobenzoic acid Traditional Name: 2-[5-chloro-4-(dimethylcarbamoyloxy)-3-hexyl-2-(trifluoromethyl)phenoxy]-6-nitro-benzoic acid Formula: C23H24ClF3N2O7 MolecularWeight: 532.89407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=CC(=C1OC(=O)N(C)C)Cl)OC2=CC=CC(=C2C(=O)O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CCCCCCC1=C(C(=CC(=C1OC(=O)N(C)C)Cl)OC2=CC=CC(=C2C(=O)O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C23H24ClF3N2O7/c1-4-5-6-7-9-13-19(23(25,26)27)17(12-14(24)20(13)36-22(32)28(2)3)35-16-11-8-10-15(29(33)34)18(16)21(30)31/h8,10-12H,4-7,9H2,1-3H3,(H,30,31)