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

Systemtic Name: 1-[[2-nitro-5-[5-(trifluoromethyl)pyridin-2-yl]oxy-phenyl]amino]propylphosphonic acid Openeye Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]anilino]propylphosphonic acid CAS Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]propylphosphonic acid IUPAC Name: 1-[2-nitro-5-[5-(trifluoromethyl)pyridin-2-yl]oxyanilino]propylphosphonic acid Traditional Name: 1-[2-nitro-5-[[5-(trifluoromethyl)-2-pyridyl]oxy]anilino]propylphosphonic acid Formula: C15H15F3N3O6P MolecularWeight: 421.265071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15F3N3O6P/c1-2-14(28(24,25)26)20-11-7-10(4-5-12(11)21(22)23)27-13-6-3-9(8-19-13)15(16,17)18/h3-8,14,20H,2H2,1H3,(H2,24,25,26)