benzotriazol-1-yl(cyclopenta-1,3-dien-1-yl)methanone; iron

Systemtic Name: benzotriazol-1-yl(cyclopenta-1,3-dien-1-yl)methanone; iron Openeye Name: benzotriazol-1-yl(cyclopenta-1,3-dien-1-yl)methanone; iron CAS Name: 1-benzotriazolyl(1-cyclopenta-1,3-dienyl)methanone; iron IUPAC Name: benzotriazol-1-yl(cyclopenta-1,3-dien-1-yl)methanone; iron Traditional Name: benzotriazol-1-yl(cyclopenta-1,3-dien-1-yl)methanone; iron Formula: C24H18FeN6O2 MolecularWeight: 478.28372

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C1C(=O)N2C3=CC=CC=C3N=N2.C1C=CC=C1C(=O)N2C3=CC=CC=C3N=N2.[Fe]

Isomeric SMILES

C1C=CC=C1C(=O)N2C3=CC=CC=C3N=N2.C1C=CC=C1C(=O)N2C3=CC=CC=C3N=N2.[Fe]

InChI

InChI=1S/2C12H9N3O.Fe/c2*16-12(9-5-1-2-6-9)15-11-8-4-3-7-10(11)13-14-15;/h2*1-5,7-8H,6H2;