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

Systemtic Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxo-propyl]propanedioate CAS Name: 2-[(1S)-1-(4-nitrophenyl)-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxopropyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-(4-nitrophenyl)propyl]malonic acid dimethyl ester Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO7/c1-21-13(17)12(14(18)22-2)11(7-8-16)9-3-5-10(6-4-9)15(19)20/h3-6,8,11-12H,7H2,1-2H3/t11-/m1/s1