6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-hexanamide

Systemtic Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-hexanamide Openeye Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-hexanamide CAS Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitrophenoxy]-N-methylhexanamide IUPAC Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitrophenoxy]-N-methylhexanamide Traditional Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]-N-methyl-hexanamide Formula: C19H28N3O8P MolecularWeight: 457.414681

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])COP(=O)(CCC#N)OC)OC

Isomeric SMILES

CNC(=O)CCCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])COP(=O)(CCC#N)OC)OC

InChI

InChI=1S/C19H28N3O8P/c1-21-19(23)8-5-4-6-10-29-18-13-16(22(24)25)15(12-17(18)27-2)14-30-31(26,28-3)11-7-9-20/h12-13H,4-8,10-11,14H2,1-3H3,(H,21,23)