diethyl 2-[[4-(bromomethyl)phenyl]-pyridin-4-yl-methylidene]propanedioate

Systemtic Name: diethyl 2-[[4-(bromomethyl)phenyl]-pyridin-4-yl-methylidene]propanedioate Openeye Name: diethyl 2-[[4-(bromomethyl)phenyl]-(4-pyridyl)methylene]propanedioate CAS Name: 2-[[4-(bromomethyl)phenyl]-pyridin-4-ylmethylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-(bromomethyl)phenyl]-pyridin-4-ylmethylidene]propanedioate Traditional Name: 2-[[4-(bromomethyl)phenyl]-(4-pyridyl)methylene]malonic acid diethyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)CBr)C2=CC=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=C(C=C1)CBr)C2=CC=NC=C2)C(=O)OCC

InChI

InChI=1S/C20H20BrNO4/c1-3-25-19(23)18(20(24)26-4-2)17(16-9-11-22-12-10-16)15-7-5-14(13-21)6-8-15/h5-12H,3-4,13H2,1-2H3