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

Systemtic Name: diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]carbonyl-2-methyl-propanedioate Openeye Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]-2-methyl-propanedioate CAS Name: 2-[[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-oxomethyl]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoyl]-2-methylpropanedioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoyl]-2-methyl-malonic acid diethyl ester Formula: C22H19ClF3NO8 MolecularWeight: 517.83637

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClF3NO8/c1-4-33-19(29)21(3,20(30)34-5-2)18(28)14-11-13(7-8-16(14)27(31)32)35-17-9-6-12(10-15(17)23)22(24,25)26/h6-11H,4-5H2,1-3H3