[3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-nitrophenyl)methanone

Systemtic Name: [3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]-(4-nitrophenyl)methanone Openeye Name: [3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-yl]-(4-nitrophenyl)methanone CAS Name: [3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-yl]-(4-nitrophenyl)methanone Traditional Name: (1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-yl)-(4-nitrophenyl)methanone Formula: C16H11N3O6 MolecularWeight: 341.27504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CO)[O-]

InChI

InChI=1S/C16H11N3O6/c20-9-14-15(16(21)10-5-7-11(8-6-10)19(24)25)18(23)13-4-2-1-3-12(13)17(14)22/h1-8,20H,9H2