N-(2-hydroxyethyl)-3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-3-(hydroxymethyl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: N-(2-hydroxyethyl)-3-(hydroxymethyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: N-(2-hydroxyethyl)-3-(hydroxymethyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyethyl)-3-(hydroxymethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: N-(2-hydroxyethyl)-1-keto-3-methylol-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O5/c16-6-5-13-12(18)11-10(7-17)14(19)8-3-1-2-4-9(8)15(11)20/h1-4,16-17H,5-7H2,(H,13,18)