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

Systemtic Name: (2,2-dimethyl-3-oxidanyl-propyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (3-hydroxy-2,2-dimethyl-propyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (3-hydroxy-2,2-dimethylpropyl) ester IUPAC Name: (3-hydroxy-2,2-dimethylpropyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (3-hydroxy-2,2-dimethyl-propyl) ester Formula: C19H17ClF3NO6 MolecularWeight: 447.78959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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