methyl 5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy-2-(2-nitroethylcarbamoyl)benzenecarboximidate

Systemtic Name: methyl 5-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]oxy-2-(2-nitroethylcarbamoyl)benzenecarboximidate Openeye Name: methyl 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-2-(2-nitroethylcarbamoyl)benzenecarboximidate CAS Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(2-nitroethylamino)-oxomethyl]benzenecarboximidic acid methyl ester IUPAC Name: methyl 5-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-2-(2-nitroethylcarbamoyl)benzenecarboximidate Traditional Name: 5-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]-2-(2-nitroethylcarbamoyl)benzenecarboximidic acid methyl ester Formula: C17H14ClF3N4O5 MolecularWeight: 446.76507

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Descriptors Computed from Structure

Canonical SMILES:

COC(=N)C1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC[N+](=O)[O-]

Isomeric SMILES

COC(=N)C1=C(C=CC(=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)C(=O)NCC[N+](=O)[O-]

InChI

InChI=1S/C17H14ClF3N4O5/c1-29-14(22)12-7-10(2-3-11(12)15(26)23-4-5-25(27)28)30-16-13(18)6-9(8-24-16)17(19,20)21/h2-3,6-8,22H,4-5H2,1H3,(H,23,26)