5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(2,2-dimethyl-3-oxidanyl-propyl)-2-nitro-benzoate

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-3-(2,2-dimethyl-3-oxidanyl-propyl)-2-nitro-benzoate Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-2,2-dimethyl-propyl)-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-2,2-dimethylpropyl)-2-nitrobenzoate IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-2,2-dimethylpropyl)-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-(3-hydroxy-2,2-dimethyl-propyl)-2-nitro-benzoate Formula: C19H16ClF3NO6- MolecularWeight: 446.78165

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClF3NO6/c1-18(2,9-25)8-10-5-12(7-13(17(26)27)16(10)24(28)29)30-15-4-3-11(6-14(15)20)19(21,22)23/h3-7,25H,8-9H2,1-2H3,(H,26,27)/p-1