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

Systemtic Name: 3-[[2-azanyl-4-(trifluoromethyl)phenyl]amino]butan-2-ylphosphonic acid Openeye Name: [2-[2-amino-4-(trifluoromethyl)anilino]-1-methyl-propyl]phosphonic acid CAS Name: 3-[2-amino-4-(trifluoromethyl)anilino]butan-2-ylphosphonic acid IUPAC Name: 3-[2-amino-4-(trifluoromethyl)anilino]butan-2-ylphosphonic acid Traditional Name: [2-[2-amino-4-(trifluoromethyl)anilino]-1-methyl-propyl]phosphonic acid Formula: C11H16F3N2O3P MolecularWeight: 312.225311

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)P(=O)(O)O)NC1=C(C=C(C=C1)C(F)(F)F)N

Isomeric SMILES

CC(C(C)P(=O)(O)O)NC1=C(C=C(C=C1)C(F)(F)F)N

InChI

InChI=1S/C11H16F3N2O3P/c1-6(7(2)20(17,18)19)16-10-4-3-8(5-9(10)15)11(12,13)14/h3-7,16H,15H2,1-2H3,(H2,17,18,19)