(E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[2-(4-nitrophenoxy)-2-oxidanylidene-ethoxy]methanolate

Systemtic Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[2-(4-nitrophenoxy)-2-oxidanylidene-ethoxy]methanolate Openeye Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[2-(4-nitrophenoxy)-2-oxo-ethoxy]methanolate CAS Name: (E)-(2-diazonio-1-cyclopenta-2,4-dienylidene)-[2-(4-nitrophenoxy)-2-oxoethoxy]methanolate IUPAC Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[2-(4-nitrophenoxy)-2-oxoethoxy]methanolate Traditional Name: (E)-(2-diazoniocyclopenta-2,4-dien-1-ylidene)-[2-keto-2-(4-nitrophenoxy)ethoxy]methanolate Formula: C14H9N3O6 MolecularWeight: 315.23776

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([O-])OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=C1)[N+]#N

Isomeric SMILES

C1=C/C(=C(/[O-])\OCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])/C(=C1)[N+]#N

InChI

InChI=1S/C14H9N3O6/c15-16-12-3-1-2-11(12)14(19)22-8-13(18)23-10-6-4-9(5-7-10)17(20)21/h1-7H,8H2/b14-11+