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

Systemtic Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-cyano-4-nitro-phenolate Openeye Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-cyano-4-nitro-phenolate CAS Name: 1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumcarbonitrile; 3-cyano-4-nitrophenolate IUPAC Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-cyano-4-nitrophenolate Traditional Name: 1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-carbonitrile; 3-cyano-4-nitro-phenolate Formula: C27H21N4O8P MolecularWeight: 560.451401

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H18N2O5P.C7H4N2O3/c1-24-17-3-7-19(8-4-17)26-28(23,22-13-11-16(15-21)12-14-22)27-20-9-5-18(25-2)6-10-20;8-4-5-3-6(10)1-2-7(5)9(11)12/h3-14H,1-2H3;1-3,10H/q+1;/p-1