(6-bromanyl-1,3-benzodioxol-5-yl)methyl pyridine-3-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl pyridine-3-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl pyridine-3-carboxylate Traditional Name: nicotinic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CN=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CN=CC=C3)Br

InChI

InChI=1S/C14H10BrNO4/c15-11-5-13-12(19-8-20-13)4-10(11)7-18-14(17)9-2-1-3-16-6-9/h1-6H,7-8H2