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

Systemtic Name: diethyl 2-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]propanedioate Openeye Name: diethyl 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]propanedioate CAS Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]propanedioate Traditional Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]malonic acid diethyl ester Formula: C14H13ClF3NO6 MolecularWeight: 383.70433

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClF3NO6/c1-3-24-12(20)11(13(21)25-4-2)7-5-9(15)8(14(16,17)18)6-10(7)19(22)23/h5-6,11H,3-4H2,1-2H3