(2-phenoxyphenyl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-phenoxyphenyl)methyl 1-oxidanidylpyridin-1-ium-3-carboxylate Openeye Name: (2-phenoxyphenyl)methyl 1-oxidopyridin-1-ium-3-carboxylate CAS Name: 1-oxido-3-pyridin-1-iumcarboxylic acid (2-phenoxyphenyl)methyl ester IUPAC Name: (2-phenoxyphenyl)methyl 1-oxidopyridin-1-ium-3-carboxylate Traditional Name: 1-oxidopyridin-1-ium-3-carboxylic acid (2-phenoxybenzyl) ester Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2COC(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H15NO4/c21-19(15-8-6-12-20(22)13-15)23-14-16-7-4-5-11-18(16)24-17-9-2-1-3-10-17/h1-13H,14H2