4-ethyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate

Systemtic Name: 4-ethyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Openeye Name: 4-ethyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate CAS Name: 4-ethyl-6-(1-imidazolyl)-7-nitro-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 4-ethyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-dione sulfate Traditional Name: 4-ethyl-6-imidazol-1-yl-7-nitro-1H-quinoxaline-2,3-quinone sulfate Formula: C13H11N5O8S-2 MolecularWeight: 397.32014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C13H11N5O4.H2O4S/c1-2-17-9-6-10(16-4-3-14-7-16)11(18(21)22)5-8(9)15-12(19)13(17)20;1-5(2,3)4/h3-7H,2H2,1H3,(H,15,19);(H2,1,2,3,4)/p-2