[2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] ester IUPAC Name: [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-[(2,4,5-trimethoxybenzyl)amino]ethyl] ester Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)COC(=O)C2=CC=[N+](C=C2)[O-])OC)OC

InChI

InChI=1S/C18H20N2O7/c1-24-14-9-16(26-3)15(25-2)8-13(14)10-19-17(21)11-27-18(22)12-4-6-20(23)7-5-12/h4-9H,10-11H2,1-3H3,(H,19,21)