hydron; iron(2+); (3E)-3-oxidanidylimino-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: hydron; iron(2+); (3E)-3-oxidanidylimino-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxamide Openeye Name: ferrous; hydron; (3E)-3-oxidoimino-4-oxo-cyclohexa-1,5-diene-1-carboxamide CAS Name: hydron; iron(2+); (3E)-3-oxidoimino-4-oxo-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: hydron; iron(2+); (3E)-3-oxidoimino-4-oxocyclohexa-1,5-diene-1-carboxamide Traditional Name: ferrous; hydron; (3E)-4-keto-3-oxidoimino-cyclohexa-1,5-diene-1-carboxamide Formula: C21H16FeN6O9 MolecularWeight: 552.23154

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C1=CC(=O)C(=N[O-])C=C1C(=O)N.C1=CC(=O)C(=N[O-])C=C1C(=O)N.C1=CC(=O)C(=N[O-])C=C1C(=O)N.[Fe+2]

Isomeric SMILES

[H+].C1=CC(=O)/C(=N/[O-])/C=C1C(=O)N.C1=CC(=O)/C(=N/[O-])/C=C1C(=O)N.C1=CC(=O)/C(=N/[O-])/C=C1C(=O)N.[Fe+2]

InChI

InChI=1S/3C7H6N2O3.Fe/c3*8-7(11)4-1-2-6(10)5(3-4)9-12;/h3*1-3,12H,(H2,8,11);/q;;;+2/p-2/b3*9-5+;