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

Systemtic Name: 2-[[2,3-bis(oxidanylidene)-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid hydrochloride Openeye Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid hydrochloride CAS Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid hydrochloride IUPAC Name: 2-[[2,3-dioxo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid hydrochloride Traditional Name: 2-[[2,3-diketo-7-(trifluoromethyl)-1,4-dihydroquinoxalin-5-yl]methylamino]propylphosphonic acid hydrochloride Formula: C13H16ClF3N3O5P MolecularWeight: 417.705211

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H15F3N3O5P.ClH/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);1H