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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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