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

Systemtic Name: 3-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]prop-1-ynylphosphonic acid Openeye Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]prop-1-ynylphosphonic acid CAS Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]prop-1-ynylphosphonic acid IUPAC Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]prop-1-ynylphosphonic acid Traditional Name: 3-[2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]prop-1-ynylphosphonic acid Formula: C12H8F3N2O5P MolecularWeight: 348.171291

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=O)N2CC#CP(=O)(O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=O)N2CC#CP(=O)(O)O

InChI

InChI=1S/C12H8F3N2O5P/c13-12(14,15)7-2-3-9-8(6-7)16-10(18)11(19)17(9)4-1-5-23(20,21)22/h2-3,6H,4H2,(H,16,18)(H2,20,21,22)