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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C15H12ClNO5 MolecularWeight: 321.71248

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C15H12ClNO5/c16-12-7-10(8-13-14(12)21-6-5-20-13)9-22-15(18)11-1-3-17(19)4-2-11/h1-4,7-8H,5-6,9H2