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

Systemtic Name: [7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid Openeye Name: [7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid CAS Name: [7-(1-imidazolyl)-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid IUPAC Name: [7-imidazol-1-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid Traditional Name: [7-imidazol-1-yl-2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid Formula: C13H10F3N4O5P MolecularWeight: 390.211271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O

Isomeric SMILES

C1=CN(C=N1)C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O

InChI

InChI=1S/C13H10F3N4O5P/c14-13(15,16)7-3-8-10(4-9(7)19-2-1-17-5-19)20(6-26(23,24)25)12(22)11(21)18-8/h1-5H,6H2,(H,18,21)(H2,23,24,25)