diethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(3-bromanyl-4-fluoranyl-phenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(3-bromo-4-fluoro-phenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(3-bromo-4-fluorophenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(3-bromo-4-fluorophenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(3-bromo-4-fluoro-phenyl)-2,6-bis(bromomethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H19Br3FNO4 MolecularWeight: 584.068863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)F)Br)C(=O)OCC)CBr)CBr

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)F)Br)C(=O)OCC)CBr)CBr

InChI

InChI=1S/C19H19Br3FNO4/c1-3-27-18(25)16-13(8-20)24-14(9-21)17(19(26)28-4-2)15(16)10-5-6-12(23)11(22)7-10/h5-7,15,24H,3-4,8-9H2,1-2H3