(E)-N-(benzotriazol-2-id-5-yl)-3-cyclopentyl-prop-2-enimidate; bromanylcyclopentane; iron(2+)

Systemtic Name: (E)-N-(benzotriazol-2-id-5-yl)-3-cyclopentyl-prop-2-enimidate; bromanylcyclopentane; iron(2+) Openeye Name: ferrous; (E)-N-(benzotriazol-2-id-5-yl)-3-cyclopentyl-prop-2-enimidate; bromocyclopentane CAS Name: (E)-N-(5-benzotriazol-2-idyl)-3-cyclopentyl-2-propenimidate; bromocyclopentane; iron(2+) IUPAC Name: (E)-N-(benzotriazol-2-id-5-yl)-3-cyclopentylprop-2-enimidate; bromocyclopentane; iron(2+) Traditional Name: ferrous; (E)-N-(benzotriazol-2-id-5-yl)-3-cyclopentyl-acrylimidate; bromocyclopentane Formula: C19H13BrFeN4O MolecularWeight: 449.08172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=N[N-]N=C2C=C1N=C(C=C[C]3[CH][CH][CH][CH]3)[O-].[CH]1[CH][CH][C]([CH]1)Br.[Fe+2]

Isomeric SMILES

C1=CC2=N[N-]N=C2C=C1N=C(/C=C/[C]3[CH][CH][CH][CH]3)[O-].[CH]1[CH][CH][C]([CH]1)Br.[Fe+2]

InChI

InChI=1S/C14H10N4O.C5H4Br.Fe/c19-14(8-5-10-3-1-2-4-10)15-11-6-7-12-13(9-11)17-18-16-12;6-5-3-1-2-4-5;/h1-9H,(H-,15,16,17,18,19);1-4H;/q-1;;+2/p-1