1-[6-nitro-2,3-bis(oxidanylidene)-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name: 1-[6-nitro-2,3-bis(oxidanylidene)-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-(6-nitro-2,3-dioxo-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid CAS Name: 1-(6-nitro-2,3-dioxo-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid IUPAC Name: 1-(6-nitro-2,3-dioxo-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid Traditional Name: 1-(2,3-diketo-6-nitro-9-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)ethylphosphonic acid Formula: C14H13N4O9PS MolecularWeight: 444.313181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C3C=C(C=CC3=C(C=C2NC(=O)C1=O)[N+](=O)[O-])S(=O)(=O)N)P(=O)(O)O

Isomeric SMILES

CC(N1C2=C3C=C(C=CC3=C(C=C2NC(=O)C1=O)[N+](=O)[O-])S(=O)(=O)N)P(=O)(O)O

InChI

InChI=1S/C14H13N4O9PS/c1-6(28(23,24)25)17-12-9-4-7(29(15,26)27)2-3-8(9)11(18(21)22)5-10(12)16-13(19)14(17)20/h2-6H,1H3,(H,16,19)(H2,15,26,27)(H2,23,24,25)