2-[3-(dimethoxyphosphorylmethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[3-(dimethoxyphosphorylmethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[3-(dimethoxyphosphorylmethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)benzonitrile CAS Name: 2-[3-(dimethoxyphosphorylmethoxy)-4-nitrophenoxy]-5-(trifluoromethyl)benzonitrile IUPAC Name: 2-[3-(dimethoxyphosphorylmethoxy)-4-nitrophenoxy]-5-(trifluoromethyl)benzonitrile Traditional Name: 2-[3-(dimethoxyphosphorylmethoxy)-4-nitro-phenoxy]-5-(trifluoromethyl)benzonitrile Formula: C17H14F3N2O7P MolecularWeight: 446.271231

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-])OC

Isomeric SMILES

COP(=O)(COC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C#N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14F3N2O7P/c1-26-30(25,27-2)10-28-16-8-13(4-5-14(16)22(23)24)29-15-6-3-12(17(18,19)20)7-11(15)9-21/h3-8H,10H2,1-2H3