cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-2-(4-isocyanophenyl)ethanone; iron(2+)

Systemtic Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-2-(4-isocyanophenyl)ethanone; iron(2+) Openeye Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-2-(4-isocyanophenyl)ethanone CAS Name: cyclopenta-1,3-diene; 1-(1-cyclopenta-2,4-dienyl)-2-(4-isocyanophenyl)ethanone; iron(2+) IUPAC Name: cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-2-(4-isocyanophenyl)ethanone; iron(2+) Traditional Name: ferrous; cyclopenta-1,3-diene; 1-cyclopenta-2,4-dien-1-yl-2-(4-isocyanophenyl)ethanone Formula: C19H15FeNO MolecularWeight: 329.1735

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CC(=O)C2C=CC=[C-]2.C1C=C[C-]=C1.[Fe+2]

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CC(=O)C2C=CC=[C-]2.C1C=C[C-]=C1.[Fe+2]

InChI

InChI=1S/C14H10NO.C5H5.Fe/c1-15-13-8-6-11(7-9-13)10-14(16)12-4-2-3-5-12;1-2-4-5-3-1;/h2-4,6-9,12H,10H2;1-2,5H,3H2;/q2*-1;+2