2-[[2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid

Systemtic Name: 2-[[2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid Openeye Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid CAS Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid IUPAC Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid Traditional Name: 2-[[2,3-diketo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid Formula: C13H15F3N3O5P MolecularWeight: 381.244271

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Descriptors Computed from Structure

Canonical SMILES:

CC(CP(=O)(O)O)NCC1=C2C(=CC(=C1)C(F)(F)F)NC(=O)C(=O)N2

Isomeric SMILES

CC(CP(=O)(O)O)NCC1=C2C(=CC(=C1)C(F)(F)F)NC(=O)C(=O)N2

InChI

InChI=1S/C13H15F3N3O5P/c1-6(5-25(22,23)24)17-4-7-2-8(13(14,15)16)3-9-10(7)19-12(21)11(20)18-9/h2-3,6,17H,4-5H2,1H3,(H,18,20)(H,19,21)(H2,22,23,24)