sodium 6-imidazol-1-yl-4-methyl-7-nitro-1H-quinoxaline-2,3-dione dihydrate

Systemtic Name: sodium 6-imidazol-1-yl-4-methyl-7-nitro-1H-quinoxaline-2,3-dione dihydrate Openeye Name: sodium 6-imidazol-1-yl-4-methyl-7-nitro-1H-quinoxaline-2,3-dione dihydrate CAS Name: sodium 6-(1-imidazolyl)-4-methyl-7-nitro-1H-quinoxaline-2,3-dione dihydrate IUPAC Name: sodium 6-imidazol-1-yl-4-methyl-7-nitro-1H-quinoxaline-2,3-dione dihydrate Traditional Name: sodium 6-imidazol-1-yl-4-methyl-7-nitro-1H-quinoxaline-2,3-quinone dihydrate Formula: C12H13N5NaO6+ MolecularWeight: 346.25129

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.O.O.[Na+]

Isomeric SMILES

CN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.O.O.[Na+]

InChI

InChI=1S/C12H9N5O4.Na.2H2O/c1-15-8-5-9(16-3-2-13-6-16)10(17(20)21)4-7(8)14-11(18)12(15)19;;;/h2-6H,1H3,(H,14,18);;2*1H2/q;+1;;