bis(phenylmethyl) 2-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dibenzyl 2-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(2-chlorophenyl)-2-nitroethyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1S)-1-(2-chlorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(2-chlorophenyl)-2-nitro-ethyl]malonic acid dibenzyl ester Formula: C25H22ClNO6 MolecularWeight: 467.89828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(C(C[N+](=O)[O-])C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C([C@H](C[N+](=O)[O-])C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H22ClNO6/c26-22-14-8-7-13-20(22)21(15-27(30)31)23(24(28)32-16-18-9-3-1-4-10-18)25(29)33-17-19-11-5-2-6-12-19/h1-14,21,23H,15-17H2/t21-/m1/s1