[2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(2,4-diacetamidophenyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(2,4-diacetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-diacetamidophenyl)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(2,4-diacetamidophenyl)-2-keto-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-])NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=CC=[N+]2[O-])NC(=O)C

InChI

InChI=1S/C18H17N3O6/c1-11(22)19-13-6-7-14(15(9-13)20-12(2)23)17(24)10-27-18(25)16-5-3-4-8-21(16)26/h3-9H,10H2,1-2H3,(H,19,22)(H,20,23)