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

Systemtic Name: diethyl 2-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: diethyl 2-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(1S)-1-(2,4-dichlorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(2,4-dichlorophenyl)-2-nitro-ethyl]malonic acid diethyl ester Formula: C15H17Cl2NO6 MolecularWeight: 378.20458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2NO6/c1-3-23-14(19)13(15(20)24-4-2)11(8-18(21)22)10-6-5-9(16)7-12(10)17/h5-7,11,13H,3-4,8H2,1-2H3/t11-/m1/s1