ethylphosphonic acid; N-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]ethanamide

Systemtic Name: ethylphosphonic acid; N-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]ethanamide Openeye Name: ethylphosphonic acid; N-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]acetamide CAS Name: ethylphosphonic acid; N-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]acetamide IUPAC Name: ethylphosphonic acid; N-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]acetamide Traditional Name: N-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]acetamide; ethylphosphonic acid Formula: C13H17N4O8P MolecularWeight: 388.269841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCP(=O)(O)O.CC(=O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CCP(=O)(O)O.CC(=O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C11H10N4O5.C2H7O3P/c1-5(16)12-4-6-2-7(15(19)20)3-8-9(6)14-11(18)10(17)13-8;1-2-6(3,4)5/h2-3H,4H2,1H3,(H,12,16)(H,13,17)(H,14,18);2H2,1H3,(H2,3,4,5)