6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]hexanoic acid

Systemtic Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]hexanoic acid Openeye Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]hexanoic acid CAS Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitrophenoxy]hexanoic acid IUPAC Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitrophenoxy]hexanoic acid Traditional Name: 6-[4-[[2-cyanoethyl(methoxy)phosphoryl]oxymethyl]-2-methoxy-5-nitro-phenoxy]hexanoic acid Formula: C18H25N2O9P MolecularWeight: 444.372861

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COP(=O)(CCC#N)OC)[N+](=O)[O-])OCCCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)COP(=O)(CCC#N)OC)[N+](=O)[O-])OCCCCCC(=O)O

InChI

InChI=1S/C18H25N2O9P/c1-26-16-11-14(13-29-30(25,27-2)10-6-8-19)15(20(23)24)12-17(16)28-9-5-3-4-7-18(21)22/h11-12H,3-7,9-10,13H2,1-2H3,(H,21,22)