bis(phenylmethyl) 2-[3-nitro-6-(trifluoromethyl)pyridin-2-yl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[3-nitro-6-(trifluoromethyl)pyridin-2-yl]propanedioate Openeye Name: dibenzyl 2-[3-nitro-6-(trifluoromethyl)-2-pyridyl]propanedioate CAS Name: 2-[3-nitro-6-(trifluoromethyl)-2-pyridinyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[3-nitro-6-(trifluoromethyl)pyridin-2-yl]propanedioate Traditional Name: 2-[3-nitro-6-(trifluoromethyl)-2-pyridyl]malonic acid dibenzyl ester Formula: C23H17F3N2O6 MolecularWeight: 474.38609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C2=C(C=CC(=N2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(C2=C(C=CC(=N2)C(F)(F)F)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H17F3N2O6/c24-23(25,26)18-12-11-17(28(31)32)20(27-18)19(21(29)33-13-15-7-3-1-4-8-15)22(30)34-14-16-9-5-2-6-10-16/h1-12,19H,13-14H2