diethyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-nitro-phenoxy]propanedioate

Systemtic Name: diethyl 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-nitro-phenoxy]propanedioate Openeye Name: diethyl 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-nitro-phenoxy]propanedioate CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-nitrophenoxy]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-nitrophenoxy]propanedioate Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-nitro-phenoxy]malonic acid diethyl ester Formula: C19H16ClF3N2O7 MolecularWeight: 476.78775

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)OC1=C(C=C(C=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)OC1=C(C=C(C=C1)C2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClF3N2O7/c1-3-30-17(26)16(18(27)31-4-2)32-14-6-5-10(7-13(14)25(28)29)15-12(20)8-11(9-24-15)19(21,22)23/h5-9,16H,3-4H2,1-2H3