3-diazanyl-2-(2-diethoxyphosphorylethanoyl)-4-imidazol-1-yl-4-oxidanyl-7-(trifluoromethyl)quinoxalin-4-ium-6-one

Systemtic Name: 3-diazanyl-2-(2-diethoxyphosphorylethanoyl)-4-imidazol-1-yl-4-oxidanyl-7-(trifluoromethyl)quinoxalin-4-ium-6-one Openeye Name: 2-(2-diethoxyphosphorylacetyl)-3-hydrazino-4-hydroxy-4-imidazol-1-yl-7-(trifluoromethyl)quinoxalin-4-ium-6-one CAS Name: 2-(2-diethoxyphosphoryl-1-oxoethyl)-3-hydrazinyl-4-hydroxy-4-(1-imidazolyl)-7-(trifluoromethyl)-6-quinoxalin-4-iumone IUPAC Name: 2-(2-diethoxyphosphorylacetyl)-3-hydrazinyl-4-hydroxy-4-imidazol-1-yl-7-(trifluoromethyl)quinoxalin-4-ium-6-one Traditional Name: 2-(2-diethoxyphosphorylacetyl)-3-hydrazino-4-hydroxy-4-imidazol-1-yl-7-(trifluoromethyl)quinoxalin-4-ium-6-one Formula: C18H21F3N6O6P+ MolecularWeight: 505.364911

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CC(=O)C1=C([N+](C2=CC(=O)C(=CC2=N1)C(F)(F)F)(N3C=CN=C3)O)NN)OCC

Isomeric SMILES

CCOP(=O)(CC(=O)C1=C([N+](C2=CC(=O)C(=CC2=N1)C(F)(F)F)(N3C=CN=C3)O)NN)OCC

InChI

InChI=1S/C18H20F3N6O6P/c1-3-32-34(31,33-4-2)9-15(29)16-17(25-22)27(30,26-6-5-23-10-26)13-8-14(28)11(18(19,20)21)7-12(13)24-16/h5-8,10,30H,3-4,9H2,1-2H3,(H2-,22,24,25,28,29)/p+1