cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitro-phenyl)prop-2-yn-1-one; iron(2+)

Systemtic Name: cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitro-phenyl)prop-2-yn-1-one; iron(2+) Openeye Name: ferrous; cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitro-phenyl)prop-2-yn-1-one CAS Name: cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitrophenyl)-2-propyn-1-one; iron(2+) IUPAC Name: cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitrophenyl)prop-2-yn-1-one; iron(2+) Traditional Name: ferrous; cyclopentane; 3-cyclopentyl-1-(4-methyl-3-nitro-phenyl)prop-2-yn-1-one Formula: C20H15FeNO3+2 MolecularWeight: 373.183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C#C[C]2[CH][CH][CH][CH]2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C#C[C]2[CH][CH][CH][CH]2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C15H10NO3.C5H5.Fe/c1-11-6-8-13(10-14(11)16(18)19)15(17)9-7-12-4-2-3-5-12;1-2-4-5-3-1;/h2-6,8,10H,1H3;1-5H;/q;;+2