cyclopenta-2,4-diene-1-carbonitrile; 1-cyclopenta-2,4-dien-1-ylethanone; iron(2+)

Systemtic Name: cyclopenta-2,4-diene-1-carbonitrile; 1-cyclopenta-2,4-dien-1-ylethanone; iron(2+) Openeye Name: ferrous; cyclopenta-2,4-diene-1-carbonitrile; 1-cyclopenta-2,4-dien-1-ylethanone CAS Name: 1-cyclopenta-2,4-dienecarbonitrile; 1-(1-cyclopenta-2,4-dienyl)ethanone; iron(2+) IUPAC Name: cyclopenta-2,4-diene-1-carbonitrile; 1-cyclopenta-2,4-dien-1-ylethanone; iron(2+) Traditional Name: ferrous; cyclopenta-2,4-diene-1-carbonitrile; 1-cyclopenta-2,4-dien-1-ylethanone Formula: C13H11FeNO MolecularWeight: 253.07754

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[C-]1C=CC=C1.C1=C[C-](C=C1)C#N.[Fe+2]

Isomeric SMILES

CC(=O)[C-]1C=CC=C1.C1=C[C-](C=C1)C#N.[Fe+2]

InChI

InChI=1S/C7H7O.C6H4N.Fe/c1-6(8)7-4-2-3-5-7;7-5-6-3-1-2-4-6;/h2-5H,1H3;1-4H;/q2*-1;+2