1-[7-morpholin-4-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid

Systemtic Name: 1-[7-morpholin-4-yl-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]ethylphosphonic acid Openeye Name: 1-(7-morpholino-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethylphosphonic acid CAS Name: 1-[7-(4-morpholinyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]ethylphosphonic acid IUPAC Name: 1-(7-morpholin-4-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)ethylphosphonic acid Traditional Name: 1-(2,3-diketo-7-morpholino-6-nitro-4H-quinoxalin-1-yl)ethylphosphonic acid Formula: C14H17N4O8P MolecularWeight: 400.280541

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3CCOCC3)P(=O)(O)O

Isomeric SMILES

CC(N1C2=CC(=C(C=C2NC(=O)C1=O)[N+](=O)[O-])N3CCOCC3)P(=O)(O)O

InChI

InChI=1S/C14H17N4O8P/c1-8(27(23,24)25)17-10-7-11(16-2-4-26-5-3-16)12(18(21)22)6-9(10)15-13(19)14(17)20/h6-8H,2-5H2,1H3,(H,15,19)(H2,23,24,25)