diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanedioate

Systemtic Name: diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanedioate Openeye Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]propanedioate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]propanedioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]malonic acid diethyl ester Formula: C20H17ClF3NO8 MolecularWeight: 491.79909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClF3NO8/c1-3-30-18(26)17(19(27)31-4-2)33-16-10-12(6-7-14(16)25(28)29)32-15-8-5-11(9-13(15)21)20(22,23)24/h5-10,17H,3-4H2,1-2H3