dimethyl 2-[(1S)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(4-benzyloxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-2-nitro-1-(4-phenylmethoxyphenyl)ethyl]propanedioate Traditional Name: 2-[(1S)-1-(4-benzoxyphenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H](C[N+](=O)[O-])C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C20H21NO7/c1-26-19(22)18(20(23)27-2)17(12-21(24)25)15-8-10-16(11-9-15)28-13-14-6-4-3-5-7-14/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1