2-cyano-N-[(E)-(6-deuterio-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)methyl]imino-ethanamide

Systemtic Name: 2-cyano-N-[(E)-(6-deuterio-4-oxidanidyl-1-oxidanyl-quinoxalin-4-ium-2-ylidene)methyl]imino-ethanamide Openeye Name: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]imino-acetamide CAS Name: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)methyl]iminoacetamide IUPAC Name: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxidoquinoxalin-4-ium-2-ylidene)methyl]iminoacetamide Traditional Name: 2-cyano-N-[(E)-(6-deuterio-1-hydroxy-4-oxido-quinoxalin-4-ium-2-ylidene)methyl]imino-acetamide Formula: C12H9N5O3 MolecularWeight: 272.237722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=CN=NC(=O)CC#N)C=[N+]2[O-])O

Isomeric SMILES

[2H]C1=CC=C2C(=C1)[N+](=C/C(=C\N=NC(=O)CC#N)/N2O)[O-]

InChI

InChI=1S/C12H9N5O3/c13-6-5-12(18)15-14-7-9-8-16(19)10-3-1-2-4-11(10)17(9)20/h1-4,7-8,20H,5H2/b9-7+,15-14?/i1D