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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-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-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-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=C[N+](=CC=C3)[O-]

Isomeric SMILES

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

InChI

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