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

Systemtic Name: [7-(2,4-dimethylimidazol-1-yl)-6-nitro-2,3-bis(oxidanylidene)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: [7-(2,4-dimethylimidazol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid CAS Name: [7-(2,4-dimethyl-1-imidazolyl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [7-(2,4-dimethylimidazol-1-yl)-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl]methylphosphonic acid Traditional Name: [7-(2,4-dimethylimidazol-1-yl)-2,3-diketo-6-nitro-4H-quinoxalin-1-yl]methylphosphonic acid Formula: C14H14N5O7P MolecularWeight: 395.264021

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=N1)C)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=N1)C)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CP(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N5O7P/c1-7-5-17(8(2)15-7)11-4-10-9(3-12(11)19(22)23)16-13(20)14(21)18(10)6-27(24,25)26/h3-5H,6H2,1-2H3,(H,16,20)(H2,24,25,26)