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

Systemtic Name: 3-[2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butan-2-ylphosphonic acid Openeye Name: [2-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]-1-methyl-propyl]phosphonic acid CAS Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butan-2-ylphosphonic acid IUPAC Name: 3-[2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]butan-2-ylphosphonic acid Traditional Name: [2-[2,3-diketo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]-1-methyl-propyl]phosphonic acid Formula: C13H14F3N2O5P MolecularWeight: 366.229631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N2O5P/c1-6(7(2)24(21,22)23)18-10-4-3-8(13(14,15)16)5-9(10)17-11(19)12(18)20/h3-7H,1-2H3,(H,17,19)(H2,21,22,23)