5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(diethoxyphosphorylmethyl)-2-nitro-aniline

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-N-(diethoxyphosphorylmethyl)-2-nitro-aniline Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(diethoxyphosphorylmethyl)-2-nitro-aniline CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(diethoxyphosphorylmethyl)-2-nitroaniline IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(diethoxyphosphorylmethyl)-2-nitroaniline Traditional Name: [5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-(diethoxyphosphorylmethyl)amine Formula: C18H19ClF3N2O6P MolecularWeight: 482.775231

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(CNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(CNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C18H19ClF3N2O6P/c1-3-28-31(27,29-4-2)11-23-15-10-13(6-7-16(15)24(25)26)30-17-8-5-12(9-14(17)19)18(20,21)22/h5-10,23H,3-4,11H2,1-2H3