methyl 5-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate

Systemtic Name: methyl 5-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate Openeye Name: methyl 5-(1,1-dimethylpropyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate CAS Name: 5-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 5-(2-methylbutan-2-yl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoate Traditional Name: 5-tert-amyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]benzoic acid methyl ester Formula: C20H20F3NO5 MolecularWeight: 411.37171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20F3NO5/c1-5-19(2,3)12-6-8-16(14(10-12)18(25)28-4)29-17-9-7-13(20(21,22)23)11-15(17)24(26)27/h6-11H,5H2,1-4H3