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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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