dimethyl 2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-2-nitro-1-phenyl-ethyl]propanedioate CAS Name: 2-[(1S)-2-nitro-1-phenylethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-2-nitro-1-phenylethyl]propanedioate Traditional Name: 2-[(1S)-2-nitro-1-phenyl-ethyl]malonic acid dimethyl ester Formula: C13H15NO6 MolecularWeight: 281.2613

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO6/c1-19-12(15)11(13(16)20-2)10(8-14(17)18)9-6-4-3-5-7-9/h3-7,10-11H,8H2,1-2H3/t10-/m1/s1