3-methyl-4-oxidanidyl-1-oxidanylidene-N-(1,1,2,2-tetradeuterio-2-oxidanyl-ethyl)quinoxalin-1-ium-2-carboxamide

Systemtic Name: 3-methyl-4-oxidanidyl-1-oxidanylidene-N-(1,1,2,2-tetradeuterio-2-oxidanyl-ethyl)quinoxalin-1-ium-2-carboxamide Openeye Name: 3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxy-ethyl)quinoxalin-1-ium-2-carboxamide CAS Name: 3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)-2-quinoxalin-1-iumcarboxamide IUPAC Name: 3-methyl-4-oxido-1-oxo-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)quinoxalin-1-ium-2-carboxamide Traditional Name: 1-keto-3-methyl-4-oxido-N-(1,1,2,2-tetradeuterio-2-hydroxy-ethyl)quinoxalin-1-ium-2-carboxamide Formula: C12H13N3O4 MolecularWeight: 267.273967

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO

Isomeric SMILES

[2H]C([2H])(C([2H])([2H])O)NC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C

InChI

InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)/i6D2,7D2