dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H17BrFNO6 MolecularWeight: 490.275883

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17BrFNO6/c1-28-21(26)15-9-25(13-5-3-12(24)4-6-13)10-16(22(27)29-2)20(15)14-7-18-19(8-17(14)23)31-11-30-18/h3-10,20H,11H2,1-2H3