(6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C14H10BrNO5 MolecularWeight: 352.1369

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC=[N+]3[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC=CC=[N+]3[O-])Br

InChI

InChI=1S/C14H10BrNO5/c15-10-6-13-12(20-8-21-13)5-9(10)7-19-14(17)11-3-1-2-4-16(11)18/h1-6H,7-8H2