dimethyl 2-[2-bromanyl-1-(4-chlorophenyl)-2-nitro-ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-bromanyl-1-(4-chlorophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[2-bromo-1-(4-chlorophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[2-bromo-1-(4-chlorophenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-bromo-1-(4-chlorophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[2-bromo-1-(4-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(C1=CC=C(C=C1)Cl)C([N+](=O)[O-])Br)C(=O)OC

Isomeric SMILES

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

InChI

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