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

Systemtic Name: dimethyl 2-[3-(4-bromophenyl)-3-oxidanylidene-1-phenyl-propyl]propanedioate Openeye Name: dimethyl 2-[3-(4-bromophenyl)-3-oxo-1-phenyl-propyl]propanedioate CAS Name: 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-bromophenyl)-3-oxo-1-phenylpropyl]propanedioate Traditional Name: 2-[3-(4-bromophenyl)-3-keto-1-phenyl-propyl]malonic acid dimethyl ester Formula: C20H19BrO5 MolecularWeight: 419.26586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrO5/c1-25-19(23)18(20(24)26-2)16(13-6-4-3-5-7-13)12-17(22)14-8-10-15(21)11-9-14/h3-11,16,18H,12H2,1-2H3