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

Systemtic Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]propan-2-ylphosphonic acid Openeye Name: [1-methyl-1-[2-nitro-4-(trifluoromethyl)anilino]ethyl]phosphonic acid CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propan-2-ylphosphonic acid IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)anilino]propan-2-ylphosphonic acid Traditional Name: [1-methyl-1-[2-nitro-4-(trifluoromethyl)anilino]ethyl]phosphonic acid Formula: C10H12F3N2O5P MolecularWeight: 328.181651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12F3N2O5P/c1-9(2,21(18,19)20)14-7-4-3-6(10(11,12)13)5-8(7)15(16)17/h3-5,14H,1-2H3,(H2,18,19,20)