iron(2+); N-methyl-N-(4-nitrophenyl)cyclopenta-1,3-diene-1-carboxamide

Systemtic Name: iron(2+); N-methyl-N-(4-nitrophenyl)cyclopenta-1,3-diene-1-carboxamide Openeye Name: ferrous N-methyl-N-(4-nitrophenyl)cyclopenta-1,3-diene-1-carboxamide CAS Name: iron(2+); N-methyl-N-(4-nitrophenyl)-1-cyclopenta-1,3-dienecarboxamide IUPAC Name: iron(2+); N-methyl-N-(4-nitrophenyl)cyclopenta-1,3-diene-1-carboxamide Traditional Name: ferrous N-methyl-N-(4-nitrophenyl)cyclopenta-1,3-diene-1-carboxamide Formula: C26H22FeN4O6 MolecularWeight: 542.32108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C[CH-]2.CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C[CH-]2.[Fe+2]

Isomeric SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C[CH-]2.CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=C[CH-]2.[Fe+2]

InChI

InChI=1S/2C13H11N2O3.Fe/c2*1-14(13(16)10-4-2-3-5-10)11-6-8-12(9-7-11)15(17)18;/h2*2-9H,1H3;/q2*-1;+2