dimethyl 2-bromanyl-2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioate

Systemtic Name: dimethyl 2-bromanyl-2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioate Openeye Name: dimethyl 2-bromo-2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]propanedioate CAS Name: 2-bromo-2-[2-nitro-1-(3-nitrophenyl)-2-phenylethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-bromo-2-[2-nitro-1-(3-nitrophenyl)-2-phenylethyl]propanedioate Traditional Name: 2-bromo-2-[2-nitro-1-(3-nitrophenyl)-2-phenyl-ethyl]malonic acid dimethyl ester Formula: C19H17BrN2O8 MolecularWeight: 481.25088

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)[N+](=O)[O-])(C(=O)OC)Br

Isomeric SMILES

COC(=O)C(C(C1=CC(=CC=C1)[N+](=O)[O-])C(C2=CC=CC=C2)[N+](=O)[O-])(C(=O)OC)Br

InChI

InChI=1S/C19H17BrN2O8/c1-29-17(23)19(20,18(24)30-2)15(13-9-6-10-14(11-13)21(25)26)16(22(27)28)12-7-4-3-5-8-12/h3-11,15-16H,1-2H3