dimethyl 2-[1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxidanylidene-propyl]propanedioate

Systemtic Name: dimethyl 2-[1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxidanylidene-propyl]propanedioate Openeye Name: dimethyl 2-[1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxo-propyl]propanedioate CAS Name: 2-[1-(2-bromophenyl)-3-(1-methyl-2-imidazolyl)-3-oxopropyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[1-(2-bromophenyl)-3-(1-methylimidazol-2-yl)-3-oxopropyl]propanedioate Traditional Name: 2-[1-(2-bromophenyl)-3-keto-3-(1-methylimidazol-2-yl)propyl]malonic acid dimethyl ester Formula: C18H19BrN2O5 MolecularWeight: 423.25786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)CC(C2=CC=CC=C2Br)C(C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=CN=C1C(=O)CC(C2=CC=CC=C2Br)C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H19BrN2O5/c1-21-9-8-20-16(21)14(22)10-12(11-6-4-5-7-13(11)19)15(17(23)25-2)18(24)26-3/h4-9,12,15H,10H2,1-3H3