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

Systemtic Name: dimethyl 2-[1-(4-bromophenyl)-2-nitro-ethyl]propanedioate Openeye Name: dimethyl 2-[1-(4-bromophenyl)-2-nitro-ethyl]propanedioate CAS Name: 2-[1-(4-bromophenyl)-2-nitroethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-bromophenyl)-2-nitroethyl]propanedioate Traditional Name: 2-[1-(4-bromophenyl)-2-nitro-ethyl]malonic acid dimethyl ester Formula: C13H14BrNO6 MolecularWeight: 360.15736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14BrNO6/c1-20-12(16)11(13(17)21-2)10(7-15(18)19)8-3-5-9(14)6-4-8/h3-6,10-11H,7H2,1-2H3