diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(6-bromanyl-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylate CAS Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylate Traditional Name: 4-(6-bromo-1,3-benzodioxol-5-yl)-1-methyl-4H-pyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H20BrNO6 MolecularWeight: 438.2692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CN(C=C(C1C2=CC3=C(C=C2Br)OCO3)C(=O)OCC)C

InChI

InChI=1S/C19H20BrNO6/c1-4-24-18(22)12-8-21(3)9-13(19(23)25-5-2)17(12)11-6-15-16(7-14(11)20)27-10-26-15/h6-9,17H,4-5,10H2,1-3H3