[[5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid

Systemtic Name: [[5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)phenyl]amino]methylphosphonic acid Openeye Name: [5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid CAS Name: [5-(4-methyl-1-imidazolyl)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid IUPAC Name: [5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Traditional Name: [5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)anilino]methylphosphonic acid Formula: C12H12F3N4O5P MolecularWeight: 380.216451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

Isomeric SMILES

CC1=CN(C=N1)C2=CC(=C(C=C2C(F)(F)F)[N+](=O)[O-])NCP(=O)(O)O

InChI

InChI=1S/C12H12F3N4O5P/c1-7-4-18(5-16-7)10-3-9(17-6-25(22,23)24)11(19(20)21)2-8(10)12(13,14)15/h2-5,17H,6H2,1H3,(H2,22,23,24)