dimethyl 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxidanylidene-propyl]propanedioate

Systemtic Name: dimethyl 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxo-propyl]propanedioate CAS Name: 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-2-methyl-3-oxopropyl]propanedioate Traditional Name: 2-[1-(4-bromophenyl)-3-(4-fluorophenyl)-3-keto-2-methyl-propyl]malonic acid dimethyl ester Formula: C21H20BrFO5 MolecularWeight: 451.282903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)Br)C(C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C(C1=CC=C(C=C1)Br)C(C(=O)OC)C(=O)OC)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C21H20BrFO5/c1-12(19(24)14-6-10-16(23)11-7-14)17(13-4-8-15(22)9-5-13)18(20(25)27-2)21(26)28-3/h4-12,17-18H,1-3H3