3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butan-2-ylphosphonic acid

Systemtic Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]butan-2-ylphosphonic acid Openeye Name: [1-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl]phosphonic acid CAS Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butan-2-ylphosphonic acid IUPAC Name: 3-[2-nitro-4-(trifluoromethyl)anilino]butan-2-ylphosphonic acid Traditional Name: [1-methyl-2-[2-nitro-4-(trifluoromethyl)anilino]propyl]phosphonic acid Formula: C11H14F3N2O5P MolecularWeight: 342.208231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14F3N2O5P/c1-6(7(2)22(19,20)21)15-9-4-3-8(11(12,13)14)5-10(9)16(17)18/h3-7,15H,1-2H3,(H2,19,20,21)