(1-oxidanylidene-1-prop-2-enoxy-pentan-2-yl) 5-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-prop-2-enoxy-pentan-2-yl) 5-[2-chloranyl-6-fluoranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 1-allyloxycarbonylbutyl 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (1-oxo-1-prop-2-enoxypentan-2-yl) ester IUPAC Name: (1-oxo-1-prop-2-enoxypentan-2-yl) 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 1-allyloxycarbonylbutyl ester Formula: C22H18ClF4NO7 MolecularWeight: 519.827433

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)F)[N+](=O)[O-]

Isomeric SMILES

CCCC(C(=O)OCC=C)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)C(F)(F)F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H18ClF4NO7/c1-3-5-18(21(30)33-8-4-2)35-20(29)14-11-13(6-7-17(14)28(31)32)34-19-15(23)9-12(10-16(19)24)22(25,26)27/h4,6-7,9-11,18H,2-3,5,8H2,1H3