cyclopentane; iron(2+); (4S)-2-(2-nitrocyclopentyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

Systemtic Name: cyclopentane; iron(2+); (4S)-2-(2-nitrocyclopentyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole Openeye Name: ferrous; cyclopentane; (4S)-4-isopropyl-2-(2-nitrocyclopentyl)-4,5-dihydrooxazole CAS Name: cyclopentane; iron(2+); (4S)-2-(2-nitrocyclopentyl)-4-propan-2-yl-4,5-dihydrooxazole IUPAC Name: cyclopentane; iron(2+); (4S)-2-(2-nitrocyclopentyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole Traditional Name: ferrous; cyclopentane; (4S)-4-isopropyl-2-(2-nitrocyclopentyl)-2-oxazoline Formula: C16H18FeN2O3+2 MolecularWeight: 342.17072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1COC(=N1)[C]2[CH][CH][CH][C]2[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)[C@H]1COC(=N1)[C]2[CH][CH][CH][C]2[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C11H13N2O3.C5H5.Fe/c1-7(2)9-6-16-11(12-9)8-4-3-5-10(8)13(14)15;1-2-4-5-3-1;/h3-5,7,9H,6H2,1-2H3;1-5H;/q;;+2/t9-;;/m1../s1