ditert-butyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-nitro-phenyl]propanedioate

Systemtic Name: ditert-butyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-nitro-phenyl]propanedioate Openeye Name: ditert-butyl 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-nitro-phenyl]propanedioate CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-nitrophenyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-nitrophenyl]propanedioate Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-nitro-phenyl]malonic acid ditert-butyl ester Formula: C23H24ClF3N2O6 MolecularWeight: 516.89467

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C=C(C=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C=C(C=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C23H24ClF3N2O6/c1-21(2,3)34-19(30)17(20(31)35-22(4,5)6)14-8-7-12(9-16(14)29(32)33)18-15(24)10-13(11-28-18)23(25,26)27/h7-11,17H,1-6H3