[2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(5-acetamido-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(5-acetamido-2-methoxy-anilino)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(5-acetamido-2-methoxy-anilino)-2-keto-ethyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C17H17N3O6/c1-11(21)18-13-3-4-15(25-2)14(9-13)19-16(22)10-26-17(23)12-5-7-20(24)8-6-12/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)