3-[3-(hydroxymethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]carbonylphenolate

Systemtic Name: 3-[3-(hydroxymethyl)-4-oxidanyl-1-oxidanylidene-quinoxalin-1-ium-2-yl]carbonylphenolate Openeye Name: 3-[4-hydroxy-3-(hydroxymethyl)-1-oxo-quinoxalin-1-ium-2-carbonyl]phenolate CAS Name: 3-[[4-hydroxy-3-(hydroxymethyl)-1-oxo-2-quinoxalin-1-iumyl]-oxomethyl]phenolate IUPAC Name: 3-[4-hydroxy-3-(hydroxymethyl)-1-oxoquinoxalin-1-ium-2-carbonyl]phenolate Traditional Name: 3-(4-hydroxy-1-keto-3-methylol-quinoxalin-1-ium-2-carbonyl)phenolate Formula: C16H12N2O5 MolecularWeight: 312.27688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O5/c19-9-14-15(16(21)10-4-3-5-11(20)8-10)18(23)13-7-2-1-6-12(13)17(14)22/h1-8,19,22H,9H2