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

Systemtic Name: 1-[6-nitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]hexylphosphonic acid Openeye Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)hexylphosphonic acid CAS Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)hexylphosphonic acid IUPAC Name: 1-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)hexylphosphonic acid Traditional Name: 1-(2,3-diketo-6-nitro-4H-benzo[h]quinoxalin-1-yl)hexylphosphonic acid Formula: C18H20N3O7P MolecularWeight: 421.341061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N3O7P/c1-2-3-4-9-15(29(26,27)28)20-16-12-8-6-5-7-11(12)14(21(24)25)10-13(16)19-17(22)18(20)23/h5-8,10,15H,2-4,9H2,1H3,(H,19,22)(H2,26,27,28)