diethyl 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate CAS Name: 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]propanedioate Traditional Name: 2-[(1S)-2-nitro-1-(3-phenoxyphenyl)ethyl]malonic acid diethyl ester Formula: C21H23NO7 MolecularWeight: 401.40982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7/c1-3-27-20(23)19(21(24)28-4-2)18(14-22(25)26)15-9-8-12-17(13-15)29-16-10-6-5-7-11-16/h5-13,18-19H,3-4,14H2,1-2H3/t18-/m1/s1