iron(3+); oxoazanide; pyridin-2-ylcarbonyl-(2-pyridin-2-ylcarbonylazanidylphenyl)azanide; nitrite

Systemtic Name: iron(3+); oxoazanide; pyridin-2-ylcarbonyl-(2-pyridin-2-ylcarbonylazanidylphenyl)azanide; nitrite Openeye Name: ferric; nitroxyl anion; pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide; nitrite CAS Name: iron(3+); nitroxyl anion; [oxo(2-pyridinyl)methyl]-[2-[oxo(2-pyridinyl)methyl]azanidylphenyl]azanide; nitrite IUPAC Name: iron(3+); nitroxyl anion; pyridine-2-carbonyl-[2-(pyridine-2-carbonylazanidyl)phenyl]azanide; nitrite Traditional Name: ferric; nitroxyl anion; picolinoyl-(2-picolinoylazanidylphenyl)azanide; nitrite Formula: C18H12FeN6O5- MolecularWeight: 448.17008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N-]C(=O)C2=CC=CC=N2)[N-]C(=O)C3=CC=CC=N3.[N-]=O.N(=O)[O-].[Fe+3]

Isomeric SMILES

C1=CC=C(C(=C1)[N-]C(=O)C2=CC=CC=N2)[N-]C(=O)C3=CC=CC=N3.[N-]=O.N(=O)[O-].[Fe+3]

InChI

InChI=1S/C18H14N4O2.Fe.HNO2.NO/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16;;2-1-3;1-2/h1-12H,(H2,19,20,21,22,23,24);;(H,2,3);/q;+3;;-1/p-3