N-(diethoxyphosphorylmethyl)-5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(diethoxyphosphorylmethyl)-5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(diethoxyphosphorylmethyl)-5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-(diethoxyphosphorylmethyl)-5-(4-methyl-1-imidazolyl)-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-(diethoxyphosphorylmethyl)-5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)aniline Traditional Name: diethoxyphosphorylmethyl-[5-(4-methylimidazol-1-yl)-2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H20F3N4O5P MolecularWeight: 436.322771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC1=C(C=C(C(=C1)N2C=C(N=C2)C)C(F)(F)F)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CNC1=C(C=C(C(=C1)N2C=C(N=C2)C)C(F)(F)F)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H20F3N4O5P/c1-4-27-29(26,28-5-2)10-21-13-7-14(22-8-11(3)20-9-22)12(16(17,18)19)6-15(13)23(24)25/h6-9,21H,4-5,10H2,1-3H3