cyclopenta-1,3-diene; N-(cyclopenta-2,4-dien-1-ylmethylideneamino)-4-methoxy-benzamide; diethylindium; iron

Systemtic Name: cyclopenta-1,3-diene; N-(cyclopenta-2,4-dien-1-ylmethylideneamino)-4-methoxy-benzamide; diethylindium; iron Openeye Name: cyclopenta-1,3-diene; N-(cyclopenta-2,4-dien-1-ylmethyleneamino)-4-methoxy-benzamide; diethylindium; iron CAS Name: cyclopenta-1,3-diene; N-(1-cyclopenta-2,4-dienylmethylideneamino)-4-methoxybenzamide; diethylindium; iron IUPAC Name: cyclopenta-1,3-diene; N-(cyclopenta-2,4-dien-1-ylmethylideneamino)-4-methoxybenzamide; diethylindium; iron Traditional Name: cyclopenta-1,3-diene; N-(cyclopenta-2,4-dien-1-ylmethyleneamino)-4-methoxy-benzamide; diethylindium; iron Formula: C46H56Fe2In2N4O4-4 MolecularWeight: 1070.28724

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Descriptors Computed from Structure

Canonical SMILES:

CC[In]CC.CC[In]CC.COC1=CC=C(C=C1)C(=O)NN=C[C-]2C=CC=C2.COC1=CC=C(C=C1)C(=O)NN=C[C-]2C=CC=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe].[Fe]

Isomeric SMILES

CC[In]CC.CC[In]CC.COC1=CC=C(C=C1)C(=O)NN=C[C-]2C=CC=C2.COC1=CC=C(C=C1)C(=O)NN=C[C-]2C=CC=C2.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe].[Fe]

InChI

InChI=1S/2C14H13N2O2.2C5H5.4C2H5.2Fe.2In/c2*1-18-13-8-6-12(7-9-13)14(17)16-15-10-11-4-2-3-5-11;2*1-2-4-5-3-1;4*1-2;;;;/h2*2-10H,1H3,(H,16,17);2*1-5H;4*1H2,2H3;;;;/q4*-1;;;;;;;;