cyclopentane; ethyl 5-cyclopentyl-1-phenacyl-pyrazole-3-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 5-cyclopentyl-1-phenacyl-pyrazole-3-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 5-cyclopentyl-1-phenacyl-pyrazole-3-carboxylate CAS Name: cyclopentane; 5-cyclopentyl-1-phenacyl-3-pyrazolecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 5-cyclopentyl-1-phenacylpyrazole-3-carboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 5-cyclopentyl-1-phenacyl-pyrazole-3-carboxylic acid ethyl ester Formula: C24H22FeN2O3+2 MolecularWeight: 442.28808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)[C]2[CH][CH][CH][CH]2)CC(=O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)[C]2[CH][CH][CH][CH]2)CC(=O)C3=CC=CC=C3.[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C19H17N2O3.C5H5.Fe/c1-2-24-19(23)16-12-17(14-8-6-7-9-14)21(20-16)13-18(22)15-10-4-3-5-11-15;1-2-4-5-3-1;/h3-12H,2,13H2,1H3;1-5H;/q;;+2