O1-[(2-chlorophenyl)methyl] O3-[(4-nitrophenyl)methyl] 2-methanoyloxy-2-pyridin-4-yl-propanedioate

Systemtic Name: O1-[(2-chlorophenyl)methyl] O3-[(4-nitrophenyl)methyl] 2-methanoyloxy-2-pyridin-4-yl-propanedioate Openeye Name: O1-[(2-chlorophenyl)methyl] O3-[(4-nitrophenyl)methyl] 2-formyloxy-2-(4-pyridyl)propanedioate CAS Name: 2-formyloxy-2-pyridin-4-ylpropanedioic acid O1-[(2-chlorophenyl)methyl] ester O3-[(4-nitrophenyl)methyl] ester IUPAC Name: 1-O-[(2-chlorophenyl)methyl] 3-O-[(4-nitrophenyl)methyl] 2-formyloxy-2-pyridin-4-ylpropanedioate Traditional Name: 2-formyloxy-2-(4-pyridyl)malonic acid O1-(2-chlorobenzyl) ester O3-(4-nitrobenzyl) ester Formula: C23H17ClN2O8 MolecularWeight: 484.84268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C(C2=CC=NC=C2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC=O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C(C2=CC=NC=C2)(C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC=O)Cl

InChI

InChI=1S/C23H17ClN2O8/c24-20-4-2-1-3-17(20)14-33-22(29)23(34-15-27,18-9-11-25-12-10-18)21(28)32-13-16-5-7-19(8-6-16)26(30)31/h1-12,15H,13-14H2