dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-3-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxo-3-phenyl-propyl]propanedioate CAS Name: 2-[(1S)-1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxo-3-phenylpropyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-(4-nitrophenyl)-3-phenyl-propyl]malonic acid dimethyl ester Formula: C20H19NO7 MolecularWeight: 385.36736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO7/c1-27-19(23)18(20(24)28-2)16(12-17(22)14-6-4-3-5-7-14)13-8-10-15(11-9-13)21(25)26/h3-11,16,18H,12H2,1-2H3/t16-/m1/s1