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

Systemtic Name: 6-imidazol-1-yl-7-nitro-4-propyl-1H-quinoxaline-2,3-dione sulfate Openeye Name: 6-imidazol-1-yl-7-nitro-4-propyl-1H-quinoxaline-2,3-dione sulfate CAS Name: 6-(1-imidazolyl)-7-nitro-4-propyl-1H-quinoxaline-2,3-dione sulfate IUPAC Name: 6-imidazol-1-yl-7-nitro-4-propyl-1H-quinoxaline-2,3-dione sulfate Traditional Name: 6-imidazol-1-yl-7-nitro-4-propyl-1H-quinoxaline-2,3-quinone sulfate Formula: C14H13N5O8S-2 MolecularWeight: 411.34672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCN1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3C=CN=C3.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C14H13N5O4.H2O4S/c1-2-4-18-10-7-11(17-5-3-15-8-17)12(19(22)23)6-9(10)16-13(20)14(18)21;1-5(2,3)4/h3,5-8H,2,4H2,1H3,(H,16,20);(H2,1,2,3,4)/p-2