diethyl 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitro-ethyl]propanedioate CAS Name: 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitroethyl]propanedioate Traditional Name: 2-[(1R)-1-[3-(4-ethylphenoxy)phenyl]-2-nitro-ethyl]malonic acid diethyl ester Formula: C23H27NO7 MolecularWeight: 429.46298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=CC=CC(=C2)C(C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=CC=CC(=C2)[C@H](C[N+](=O)[O-])C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H27NO7/c1-4-16-10-12-18(13-11-16)31-19-9-7-8-17(14-19)20(15-24(27)28)21(22(25)29-5-2)23(26)30-6-3/h7-14,20-21H,4-6,15H2,1-3H3/t20-/m0/s1