(2-methoxy-2-oxidanylidene-ethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-ethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid (2-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid (2-keto-2-methoxy-ethyl) ester Formula: C17H11ClF3NO7 MolecularWeight: 433.71995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11ClF3NO7/c1-27-15(23)8-28-16(24)11-7-10(3-4-13(11)22(25)26)29-14-5-2-9(6-12(14)18)17(19,20)21/h2-7H,8H2,1H3