bis(phenylmethyl) 2-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]propanedioate Openeye Name: dibenzyl 2-[(1R)-1-(4-nitrophenyl)-3-oxo-propyl]propanedioate CAS Name: 2-[(1R)-1-(4-nitrophenyl)-3-oxopropyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1R)-1-(4-nitrophenyl)-3-oxopropyl]propanedioate Traditional Name: 2-[(1R)-3-keto-1-(4-nitrophenyl)propyl]malonic acid dibenzyl ester Formula: C26H23NO7 MolecularWeight: 461.46332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23NO7/c28-16-15-23(21-11-13-22(14-12-21)27(31)32)24(25(29)33-17-19-7-3-1-4-8-19)26(30)34-18-20-9-5-2-6-10-20/h1-14,16,23-24H,15,17-18H2/t23-/m0/s1