(6-bromanyl-1,3-benzodioxol-5-yl)methyl pyridine-4-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl pyridine-4-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl pyridine-4-carboxylate Traditional Name: isonicotinic 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=CC=NC=C3)Br

Isomeric SMILES

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

InChI

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