2-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propan-2-ylphosphonic acid

Systemtic Name: 2-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propan-2-ylphosphonic acid Openeye Name: [1-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]-1-methyl-ethyl]phosphonic acid CAS Name: 2-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propan-2-ylphosphonic acid IUPAC Name: 2-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]propan-2-ylphosphonic acid Traditional Name: [1-[2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]-1-methyl-ethyl]phosphonic acid Formula: C12H12F3N2O5P MolecularWeight: 352.203051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(N1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

Isomeric SMILES

CC(C)(N1C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C1=O)P(=O)(O)O

InChI

InChI=1S/C12H12F3N2O5P/c1-11(2,23(20,21)22)17-8-4-3-6(12(13,14)15)5-7(8)16-9(18)10(17)19/h3-5H,1-2H3,(H,16,18)(H2,20,21,22)