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

Systemtic Name: 1-[6-nitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]propylphosphonic acid Openeye Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propylphosphonic acid CAS Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propylphosphonic acid IUPAC Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propylphosphonic acid Traditional Name: 1-(2,3-diketo-6-nitro-4H-benzo[h]quinoxalin-1-yl)propylphosphonic acid Formula: C15H14N3O7P MolecularWeight: 379.261321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O)P(=O)(O)O

Isomeric SMILES

CCC(N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O)P(=O)(O)O

InChI

InChI=1S/C15H14N3O7P/c1-2-12(26(23,24)25)17-13-9-6-4-3-5-8(9)11(18(21)22)7-10(13)16-14(19)15(17)20/h3-7,12H,2H2,1H3,(H,16,19)(H2,23,24,25)