diethyl 2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: diethyl 2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(4-methoxyphenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C16H21NO7 MolecularWeight: 339.34044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO7/c1-4-23-15(18)14(16(19)24-5-2)13(10-17(20)21)11-6-8-12(22-3)9-7-11/h6-9,13-14H,4-5,10H2,1-3H3/t13-/m1/s1