2-[[2,3-bis(oxidanylidene)-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2,3-bis(oxidanylidene)-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]ethanoic acid Openeye Name: 2-[[2,3-dioxo-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]acetic acid CAS Name: 2-[[2,3-dioxo-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]acetic acid IUPAC Name: 2-[[2,3-dioxo-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]acetic acid Traditional Name: 2-[[2,3-diketo-4-(phosphonomethyl)-7-(trifluoromethyl)-1H-quinoxalin-6-yl]oxy]acetic acid Formula: C12H10F3N2O8P MolecularWeight: 398.185371

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC2=C1NC(=O)C(=O)N2CP(=O)(O)O)OCC(=O)O)C(F)(F)F

Isomeric SMILES

C1=C(C(=CC2=C1NC(=O)C(=O)N2CP(=O)(O)O)OCC(=O)O)C(F)(F)F

InChI

InChI=1S/C12H10F3N2O8P/c13-12(14,15)5-1-6-7(2-8(5)25-3-9(18)19)17(4-26(22,23)24)11(21)10(20)16-6/h1-2H,3-4H2,(H,16,20)(H,18,19)(H2,22,23,24)