dimethyl 2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[(1S)-1-(3-chlorophenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(3-chlorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C13H14ClNO6 MolecularWeight: 315.70636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO6/c1-20-12(16)11(13(17)21-2)10(7-15(18)19)8-4-3-5-9(14)6-8/h3-6,10-11H,7H2,1-2H3/t10-/m1/s1