dimethyl 2-[(1R,2S)-2-nitro-3-oxidanylidene-1,3-diphenyl-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1R,2S)-2-nitro-3-oxidanylidene-1,3-diphenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(1R,2S)-2-nitro-3-oxo-1,3-diphenyl-propyl]propanedioate CAS Name: 2-[(1R,2S)-2-nitro-3-oxo-1,3-diphenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R,2S)-2-nitro-3-oxo-1,3-diphenylpropyl]propanedioate Traditional Name: 2-[(1R,2S)-3-keto-2-nitro-1,3-diphenyl-propyl]malonic acid dimethyl ester Formula: C20H19NO7 MolecularWeight: 385.36736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO7/c1-27-19(23)16(20(24)28-2)15(13-9-5-3-6-10-13)17(21(25)26)18(22)14-11-7-4-8-12-14/h3-12,15-17H,1-2H3/t15-,17-/m0/s1