1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyano-4-nitro-phenolate

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyano-4-nitro-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyano-4-nitro-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumamine; 3-cyano-4-nitrophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-amine; 3-cyano-4-nitrophenolate Traditional Name: [1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]amine; 3-cyano-4-nitro-phenolate Formula: C26H23N4O8P MolecularWeight: 550.456581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)N)OC3=CC=C(C=C3)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OP(=O)([N+]2=CC=C(C=C2)N)OC3=CC=C(C=C3)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N2O5P.C7H4N2O3/c1-23-16-3-7-18(8-4-16)25-27(22,21-13-11-15(20)12-14-21)26-19-9-5-17(24-2)6-10-19;8-4-5-3-6(10)1-2-7(5)9(11)12/h3-14,20H,1-2H3;1-3,10H