[2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)ethyl] ester Formula: C16H13N3O5 MolecularWeight: 327.29152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1C(=O)NC2=CC=CC=C2N1C(=O)COC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C16H13N3O5/c20-14-9-19(13-4-2-1-3-12(13)17-14)15(21)10-24-16(22)11-5-7-18(23)8-6-11/h1-8H,9-10H2,(H,17,20)