[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(4-benzyloxyanilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-oxo-2-(4-phenylmethoxyanilino)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylmethoxyanilino)ethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(4-benzoxyanilino)-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H18N2O5/c24-20(15-28-21(25)19-8-4-5-13-23(19)26)22-17-9-11-18(12-10-17)27-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,22,24)