cyclopentane; ethyl 4-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxylate; iron(2+)

Systemtic Name: cyclopentane; ethyl 4-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxylate; iron(2+) Openeye Name: ferrous; cyclopentane; ethyl 4-cyclopentyl-5-phenyl-isoxazole-3-carboxylate CAS Name: cyclopentane; 4-cyclopentyl-5-phenyl-3-isoxazolecarboxylic acid ethyl ester; iron(2+) IUPAC Name: cyclopentane; ethyl 4-cyclopentyl-5-phenyl-1,2-oxazole-3-carboxylate; iron(2+) Traditional Name: ferrous; cyclopentane; 4-cyclopentyl-5-phenyl-isoxazole-3-carboxylic acid ethyl ester Formula: C22H19FeNO3+2 MolecularWeight: 401.23616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14NO3.C5H5.Fe/c1-2-20-17(19)15-14(12-8-6-7-9-12)16(21-18-15)13-10-4-3-5-11-13;1-2-4-5-3-1;/h3-11H,2H2,1H3;1-5H;/q;;+2