(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C15H12BrNO5 MolecularWeight: 366.16348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C15H12BrNO5/c16-11-8-14-13(20-5-6-21-14)7-10(11)9-22-15(18)12-3-1-2-4-17(12)19/h1-4,7-8H,5-6,9H2