dimethyl 2-[(1R)-1-(4-cyanophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1R)-1-(4-cyanophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[(1R)-1-(4-cyanophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1R)-1-(4-cyanophenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1R)-1-(4-cyanophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1R)-1-(4-cyanophenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C14H14N2O6 MolecularWeight: 306.27076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O6/c1-21-13(17)12(14(18)22-2)11(8-16(19)20)10-5-3-9(7-15)4-6-10/h3-6,11-12H,8H2,1-2H3/t11-/m0/s1