1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]ethanone; 3-cyano-4-nitro-phenolate

Systemtic Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]ethanone; 3-cyano-4-nitro-phenolate Openeye Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]ethanone; 3-cyano-4-nitro-phenolate CAS Name: 1-[1-bis(4-methoxyphenoxy)phosphoryl-4-pyridin-1-iumyl]ethanone; 3-cyano-4-nitrophenolate IUPAC Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]ethanone; 3-cyano-4-nitrophenolate Traditional Name: 1-[1-bis(4-methoxyphenoxy)phosphorylpyridin-1-ium-4-yl]ethanone; 3-cyano-4-nitro-phenolate Formula: C28H24N3O9P MolecularWeight: 577.478621

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=[N+](C=C1)P(=O)(OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC.C1=CC(=C(C=C1[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO6P.C7H4N2O3/c1-16(23)17-12-14-22(15-13-17)29(24,27-20-8-4-18(25-2)5-9-20)28-21-10-6-19(26-3)7-11-21;8-4-5-3-6(10)1-2-7(5)9(11)12/h4-15H,1-3H3;1-3,10H/q+1;/p-1