methyl 4-[[3-nitro-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[3-nitro-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridyl]methyl]benzoate CAS Name: 4-[[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-nitro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate Traditional Name: 4-[[2-keto-3-nitro-5-(trifluoromethyl)-1-pyridyl]methyl]benzoic acid methyl ester Formula: C15H11F3N2O5 MolecularWeight: 356.25345

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H11F3N2O5/c1-25-14(22)10-4-2-9(3-5-10)7-19-8-11(15(16,17)18)6-12(13(19)21)20(23)24/h2-6,8H,7H2,1H3