[4-(1-methoxyethylamino)-6-nitro-2,3-bis(oxidanylidene)quinoxalin-1-yl]methylphosphonic acid

Systemtic Name: [4-(1-methoxyethylamino)-6-nitro-2,3-bis(oxidanylidene)quinoxalin-1-yl]methylphosphonic acid Openeye Name: [4-(1-methoxyethylamino)-6-nitro-2,3-dioxo-quinoxalin-1-yl]methylphosphonic acid CAS Name: [4-(1-methoxyethylamino)-6-nitro-2,3-dioxo-1-quinoxalinyl]methylphosphonic acid IUPAC Name: [4-(1-methoxyethylamino)-6-nitro-2,3-dioxoquinoxalin-1-yl]methylphosphonic acid Traditional Name: [2,3-diketo-4-(1-methoxyethylamino)-6-nitro-quinoxalin-1-yl]methylphosphonic acid Formula: C12H15N4O8P MolecularWeight: 374.243261

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Descriptors Computed from Structure

Canonical SMILES:

CC(NN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1=O)CP(=O)(O)O)OC

Isomeric SMILES

CC(NN1C2=C(C=CC(=C2)[N+](=O)[O-])N(C(=O)C1=O)CP(=O)(O)O)OC

InChI

InChI=1S/C12H15N4O8P/c1-7(24-2)13-15-10-5-8(16(19)20)3-4-9(10)14(6-25(21,22)23)11(17)12(15)18/h3-5,7,13H,6H2,1-2H3,(H2,21,22,23)