3-(hydroxymethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: 3-(hydroxymethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: 4-hydroxy-3-(hydroxymethyl)-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 4-hydroxy-3-(hydroxymethyl)-1-oxo-2-quinoxalin-1-iumcarboxylate IUPAC Name: 4-hydroxy-3-(hydroxymethyl)-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 4-hydroxy-1-keto-3-methylol-quinoxalin-1-ium-2-carboxylate Formula: C10H8N2O5 MolecularWeight: 236.18092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H8N2O5/c13-5-8-9(10(14)15)12(17)7-4-2-1-3-6(7)11(8)16/h1-4,13,16H,5H2