sodium (7-imidazol-1-yl-6-nitro-3-oxidanylidene-4H-quinoxalin-1-id-2-ylidene)cyanamide

Systemtic Name: sodium (7-imidazol-1-yl-6-nitro-3-oxidanylidene-4H-quinoxalin-1-id-2-ylidene)cyanamide Openeye Name: sodium (7-imidazol-1-yl-6-nitro-3-oxo-4H-quinoxalin-1-id-2-ylidene)cyanamide CAS Name: sodium [7-(1-imidazolyl)-6-nitro-3-oxo-4H-quinoxalin-1-id-2-ylidene]cyanamide IUPAC Name: sodium (7-imidazol-1-yl-6-nitro-3-oxo-4H-quinoxalin-1-id-2-ylidene)cyanamide Traditional Name: sodium (7-imidazol-1-yl-3-keto-6-nitro-4H-quinoxalin-1-id-2-ylidene)cyanamide Formula: C12H6N7NaO3 MolecularWeight: 319.21091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)[N-]C(=NC#N)C(=O)N3)[N+](=O)[O-].[Na+]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)[N-]C(=NC#N)C(=O)N3)[N+](=O)[O-].[Na+]

InChI

InChI=1S/C12H7N7O3.Na/c13-5-15-11-12(20)17-8-4-10(19(21)22)9(3-7(8)16-11)18-2-1-14-6-18;/h1-4,6H,(H2,15,16,17,20);/q;+1/p-1