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

Systemtic Name: [6-imidazol-1-yl-7-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: (6-imidazol-1-yl-7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)methylphosphonic acid CAS Name: [6-(1-imidazolyl)-7-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: (6-imidazol-1-yl-7-nitro-2,3-dioxo-4H-quinoxalin-1-yl)methylphosphonic acid Traditional Name: (6-imidazol-1-yl-2,3-diketo-7-nitro-4H-quinoxalin-1-yl)methylphosphonic acid Formula: C12H10N5O7P MolecularWeight: 367.210861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)C2=C(C=C3C(=C2)NC(=O)C(=O)N3CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10N5O7P/c18-11-12(19)16(6-25(22,23)24)8-4-10(17(20)21)9(3-7(8)14-11)15-2-1-13-5-15/h1-5H,6H2,(H,14,18)(H2,22,23,24)