diethyl 2-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-2-(pyridin-3-ylmethyl)propanedioate

Systemtic Name: diethyl 2-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-2-(pyridin-3-ylmethyl)propanedioate Openeye Name: diethyl 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-(3-pyridylmethyl)propanedioate CAS Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-(3-pyridinylmethyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-(pyridin-3-ylmethyl)propanedioate Traditional Name: 2-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-2-(3-pyridylmethyl)malonic acid diethyl ester Formula: C20H18ClF3N2O6 MolecularWeight: 474.81493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CN=CC=C1)(C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=CN=CC=C1)(C2=C(C=C(C(=C2)Cl)C(F)(F)F)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H18ClF3N2O6/c1-3-31-17(27)19(18(28)32-4-2,10-12-6-5-7-25-11-12)14-8-15(21)13(20(22,23)24)9-16(14)26(29)30/h5-9,11H,3-4,10H2,1-2H3