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

Systemtic Name: diethyl 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-2-methyl-propanedioate Openeye Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-2-methyl-propanedioate CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]-2-methylpropanedioate Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-2-methyl-malonic acid diethyl ester Formula: C21H19ClF3NO8 MolecularWeight: 505.82567

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(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)(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/C21H19ClF3NO8/c1-4-31-18(27)20(3,19(28)32-5-2)34-17-11-13(7-8-15(17)26(29)30)33-16-9-6-12(10-14(16)22)21(23,24)25/h6-11H,4-5H2,1-3H3