N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)aniline Openeye Name: N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)aniline CAS Name: N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)aniline IUPAC Name: N-(2-diethoxyphosphorylethyl)-3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)aniline Traditional Name: 2-diethoxyphosphorylethyl-[3-(1H-imidazol-5-yl)-2-nitro-4-(trifluoromethyl)phenyl]amine Formula: C16H20F3N4O5P MolecularWeight: 436.322771

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CCNC1=C(C(=C(C=C1)C(F)(F)F)C2=CN=CN2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CCNC1=C(C(=C(C=C1)C(F)(F)F)C2=CN=CN2)[N+](=O)[O-])OCC

InChI

InChI=1S/C16H20F3N4O5P/c1-3-27-29(26,28-4-2)8-7-21-12-6-5-11(16(17,18)19)14(15(12)23(24)25)13-9-20-10-22-13/h5-6,9-10,21H,3-4,7-8H2,1-2H3,(H,20,22)