bis(chloranyl)iron; 1-[5-[(E)-N-isocyano-C-methyl-carbonimidoyl]-1-methyl-pyrrol-2-yl]ethylidenecyanamide

Systemtic Name: bis(chloranyl)iron; 1-[5-[(E)-N-isocyano-C-methyl-carbonimidoyl]-1-methyl-pyrrol-2-yl]ethylidenecyanamide Openeye Name: dichloroiron; 1-[5-[(E)-N-isocyano-C-methyl-carbonimidoyl]-1-methyl-pyrrol-2-yl]ethylidenecyanamide CAS Name: dichloroiron; 1-[5-[(1E)-1-isocyanoiminoethyl]-1-methyl-2-pyrrolyl]ethylidenecyanamide IUPAC Name: dichloroiron; 1-[5-[(E)-N-isocyano-C-methylcarbonimidoyl]-1-methylpyrrol-2-yl]ethylidenecyanamide Traditional Name: dichloroiron; 1-[5-[(E)-N-isocyano-C-methyl-carbonimidoyl]-1-methyl-pyrrol-2-yl]ethylidenecyanamide Formula: C11H11Cl2FeN5 MolecularWeight: 339.98954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC#N)C1=CC=C(N1C)C(=N[N+]#[C-])C.Cl[Fe]Cl

Isomeric SMILES

CC(=NC#N)C1=CC=C(N1C)/C(=N/[N+]#[C-])/C.Cl[Fe]Cl

InChI

InChI=1S/C11H11N5.2ClH.Fe/c1-8(14-7-12)10-5-6-11(16(10)4)9(2)15-13-3;;;/h5-6H,1-2,4H3;2*1H;/q;;;+2/p-2/b14-8?,15-9+;;;