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

Systemtic Name: dimethyl 2-bromanyl-2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-bromo-2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-bromo-2-[(1S)-1-(3-chlorophenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-2-[(1S)-1-(3-chlorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-bromo-2-[(1S)-1-(3-chlorophenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C13H13BrClNO6 MolecularWeight: 394.60242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrClNO6/c1-21-11(17)13(14,12(18)22-2)10(7-16(19)20)8-4-3-5-9(15)6-8/h3-6,10H,7H2,1-2H3/t10-/m1/s1