ethyl 3-(4-nitrophenyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carboxylate

Systemtic Name: ethyl 3-(4-nitrophenyl)-1-oxidanidyl-4-oxidanylidene-quinoxalin-4-ium-2-carboxylate Openeye Name: ethyl 3-(4-nitrophenyl)-1-oxido-4-oxo-quinoxalin-4-ium-2-carboxylate CAS Name: 3-(4-nitrophenyl)-1-oxido-4-oxo-2-quinoxalin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-nitrophenyl)-1-oxido-4-oxoquinoxalin-4-ium-2-carboxylate Traditional Name: 4-keto-3-(4-nitrophenyl)-1-oxido-quinoxalin-4-ium-2-carboxylic acid ethyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=O)C2=CC=CC=C2N1[O-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=O)C2=CC=CC=C2N1[O-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-2-26-17(21)16-15(11-7-9-12(10-8-11)20(24)25)18(22)13-5-3-4-6-14(13)19(16)23/h3-10H,2H2,1H3