4-oxidanylidene-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid

Systemtic Name: 4-oxidanylidene-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid Openeye Name: 4-oxo-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid CAS Name: 4-oxo-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid IUPAC Name: 4-oxo-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid Traditional Name: 4-keto-1-(phosphonomethyl)-7-(trifluoromethyl)-5H-imidazo[1,2-a]quinoxaline-2-carboxylic acid Formula: C13H9F3N3O6P MolecularWeight: 391.196031

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C3=NC(=C(N23)CP(=O)(O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)NC(=O)C3=NC(=C(N23)CP(=O)(O)O)C(=O)O

InChI

InChI=1S/C13H9F3N3O6P/c14-13(15,16)5-1-2-7-6(3-5)17-11(20)10-18-9(12(21)22)8(19(7)10)4-26(23,24)25/h1-3H,4H2,(H,17,20)(H,21,22)(H2,23,24,25)