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(6-methoxy-6-oxidanylidene-hexyl) 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

(6-methoxy-6-oxidanylidene-hexyl) 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name:(6-methoxy-6-oxidanylidene-hexyl) 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
Openeye Name:(6-methoxy-6-oxo-hexyl) 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate
CAS Name:5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (6-methoxy-6-oxohexyl) ester
IUPAC Name:(6-methoxy-6-oxohexyl) 5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Traditional Name:5-[2-cyano-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (6-keto-6-methoxy-hexyl) ester
Formula: C22H19F3N2O7
MolecularWeight: 480.39067
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]


Isomeric SMILES

COC(=O)CCCCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-]


InChI

InChI=1S/C22H19F3N2O7/c1-32-20(28)5-3-2-4-10-33-21(29)17-12-16(7-8-18(17)27(30)31)34-19-9-6-15(22(23,24)25)11-14(19)13-26/h6-9,11-12H,2-5,10H2,1H3


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