tert-butyl N-[(4Z)-4-(cyclopentylmethylidene)-5-oxidanylidene-1-prop-2-enyl-imidazol-2-yl]-N-prop-2-enyl-carbamate; iron(2+)

Systemtic Name: tert-butyl N-[(4Z)-4-(cyclopentylmethylidene)-5-oxidanylidene-1-prop-2-enyl-imidazol-2-yl]-N-prop-2-enyl-carbamate; iron(2+) Openeye Name: ferrous tert-butyl N-allyl-N-[(4Z)-1-allyl-4-(cyclopentylmethylene)-5-oxo-imidazol-2-yl]carbamate CAS Name: N-[(4Z)-4-(cyclopentylmethylidene)-5-oxo-1-prop-2-enyl-2-imidazolyl]-N-prop-2-enylcarbamic acid tert-butyl ester; iron(2+) IUPAC Name: tert-butyl N-[(4Z)-4-(cyclopentylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]-N-prop-2-enylcarbamate; iron(2+) Traditional Name: ferrous N-allyl-N-[(4Z)-1-allyl-4-(cyclopentylmethylene)-5-keto-2-imidazolin-2-yl]carbamic acid tert-butyl ester Formula: C40H48FeN6O6+2 MolecularWeight: 764.69072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC=C)C1=NC(=C[C]2[CH][CH][CH][CH]2)C(=O)N1CC=C.CC(C)(C)OC(=O)N(CC=C)C1=NC(=C[C]2[CH][CH][CH][CH]2)C(=O)N1CC=C.[Fe+2]

Isomeric SMILES

CC(OC(=O)N(C1=N/C(=C\[C]2[CH][CH][CH][CH]2)/C(=O)N1CC=C)CC=C)(C)C.CC(OC(=O)N(C1=N/C(=C\[C]2[CH][CH][CH][CH]2)/C(=O)N1CC=C)CC=C)(C)C.[Fe+2]

InChI

InChI=1S/2C20H24N3O3.Fe/c2*1-6-12-22-17(24)16(14-15-10-8-9-11-15)21-18(22)23(13-7-2)19(25)26-20(3,4)5;/h2*6-11,14H,1-2,12-13H2,3-5H3;/q;;+2