1-[[2-nitro-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]amino]ethylphosphonic acid

Systemtic Name: 1-[[2-nitro-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]amino]ethylphosphonic acid Openeye Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]anilino]ethylphosphonic acid CAS Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]ethylphosphonic acid IUPAC Name: 1-[2-nitro-5-[5-(trifluoromethyl)pyridin-2-yl]oxyanilino]ethylphosphonic acid Traditional Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]anilino]ethylphosphonic acid Formula: C14H13F3N3O6P MolecularWeight: 407.238491

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CC(NC1=C(C=CC(=C1)OC2=NC=C(C=C2)C(F)(F)F)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C14H13F3N3O6P/c1-8(27(23,24)25)19-11-6-10(3-4-12(11)20(21)22)26-13-5-2-9(7-18-13)14(15,16)17/h2-8,19H,1H3,(H2,23,24,25)