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

Systemtic Name: 2-methylbut-3-en-2-yl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 1,1-dimethylallyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-methylbut-3-en-2-yl ester IUPAC Name: 2-methylbut-3-en-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 1,1-dimethylallyl ester Formula: C19H15ClF3NO5 MolecularWeight: 429.77431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClF3NO5/c1-4-18(2,3)29-17(25)13-10-12(6-7-15(13)24(26)27)28-16-8-5-11(9-14(16)20)19(21,22)23/h4-10H,1H2,2-3H3