methyl 3-nitro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxy-benzoate Openeye Name: methyl 3-nitro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxy-benzoate CAS Name: 3-nitro-4-[[4-(trifluoromethyl)-2-pyrimidinyl]oxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoate Traditional Name: 3-nitro-4-[4-(trifluoromethyl)pyrimidin-2-yl]oxy-benzoic acid methyl ester Formula: C13H8F3N3O5 MolecularWeight: 343.21493

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8F3N3O5/c1-23-11(20)7-2-3-9(8(6-7)19(21)22)24-12-17-5-4-10(18-12)13(14,15)16/h2-6H,1H3