cyclopentane; 1-[(1S)-1-cyclopentyl-2-methyl-propyl]-3-(4-nitrophenyl)urea; iron(2+)

Systemtic Name: cyclopentane; 1-[(1S)-1-cyclopentyl-2-methyl-propyl]-3-(4-nitrophenyl)urea; iron(2+) Openeye Name: ferrous; cyclopentane; 1-[(1S)-1-cyclopentyl-2-methyl-propyl]-3-(4-nitrophenyl)urea CAS Name: cyclopentane; 1-[(1S)-1-cyclopentyl-2-methylpropyl]-3-(4-nitrophenyl)urea; iron(2+) IUPAC Name: cyclopentane; 1-[(1S)-1-cyclopentyl-2-methylpropyl]-3-(4-nitrophenyl)urea; iron(2+) Traditional Name: ferrous; cyclopentane; 1-[(1S)-1-cyclopentyl-2-methyl-propyl]-3-(4-nitrophenyl)urea Formula: C21H23FeN3O3+2 MolecularWeight: 421.27062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C([C]1[CH][CH][CH][CH]1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

Isomeric SMILES

CC(C)[C@H]([C]1[CH][CH][CH][CH]1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-].[CH]1[CH][CH][CH][CH]1.[Fe+2]

InChI

InChI=1S/C16H18N3O3.C5H5.Fe/c1-11(2)15(12-5-3-4-6-12)18-16(20)17-13-7-9-14(10-8-13)19(21)22;1-2-4-5-3-1;/h3-11,15H,1-2H3,(H2,17,18,20);1-5H;/q;;+2/t15-;;/m1../s1