2-methylbut-3-en-2-yl 5-[2-chloranyl-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-methylbut-3-en-2-yl 5-[2-chloranyl-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 1,1-dimethylallyl 5-[2-chloro-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 5-[2-chloro-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-6-methyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 1,1-dimethylallyl ester Formula: C20H17ClF3NO5 MolecularWeight: 443.80089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClF3NO5/c1-5-19(3,4)30-18(26)14-10-13(6-7-16(14)25(27)28)29-17-11(2)8-12(9-15(17)21)20(22,23)24/h5-10H,1H2,2-4H3