2,2-dimethylpropyl 3-acetyloxy-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2,2-dimethylpropyl 3-acetyloxy-5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2,2-dimethylpropyl 3-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 3-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 3-acetyloxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 3-acetoxy-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid neopentyl ester Formula: C21H19ClF3NO7 MolecularWeight: 489.82627

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)OCC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=C(C(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)C(=O)OCC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19ClF3NO7/c1-11(27)32-17-9-13(33-16-6-5-12(7-15(16)22)21(23,24)25)8-14(18(17)26(29)30)19(28)31-10-20(2,3)4/h5-9H,10H2,1-4H3