2-azanyl-3-(1H-imidazol-5-yl)-N-oxidanidyl-propanamide; iron(3+)

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)-N-oxidanidyl-propanamide; iron(3+) Openeye Name: ferric 2-amino-3-(1H-imidazol-5-yl)-N-oxido-propanamide CAS Name: 2-amino-3-(1H-imidazol-5-yl)-N-oxidopropanamide; iron(3+) IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)-N-oxidopropanamide; iron(3+) Traditional Name: ferric 2-amino-3-(1H-imidazol-5-yl)-N-oxido-propionamide Formula: C18H27FeN12O6 MolecularWeight: 563.32878

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)N[O-])N.C1=C(NC=N1)CC(C(=O)N[O-])N.C1=C(NC=N1)CC(C(=O)N[O-])N.[Fe+3]

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)N[O-])N.C1=C(NC=N1)CC(C(=O)N[O-])N.C1=C(NC=N1)CC(C(=O)N[O-])N.[Fe+3]

InChI

InChI=1S/3C6H9N4O2.Fe/c3*7-5(6(11)10-12)1-4-2-8-3-9-4;/h3*2-3,5H,1,7H2,(H2-,8,9,10,11,12);/q3*-1;+3