iron; (E)-3-nitro-4-oxidanyl-pent-3-en-2-one

Systemtic Name: iron; (E)-3-nitro-4-oxidanyl-pent-3-en-2-one Openeye Name: (E)-4-hydroxy-3-nitro-pent-3-en-2-one; iron CAS Name: (E)-4-hydroxy-3-nitro-3-penten-2-one; iron IUPAC Name: (E)-4-hydroxy-3-nitropent-3-en-2-one; iron Traditional Name: (E)-4-hydroxy-3-nitro-pent-3-en-2-one; iron Formula: C15H21FeN3O12 MolecularWeight: 491.18514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)[N+](=O)[O-])O.CC(=C(C(=O)C)[N+](=O)[O-])O.CC(=C(C(=O)C)[N+](=O)[O-])O.[Fe]

Isomeric SMILES

C/C(=C(\[N+](=O)[O-])/C(=O)C)/O.C/C(=C(\[N+](=O)[O-])/C(=O)C)/O.C/C(=C(\[N+](=O)[O-])/C(=O)C)/O.[Fe]

InChI

InChI=1S/3C5H7NO4.Fe/c3*1-3(7)5(4(2)8)6(9)10;/h3*7H,1-2H3;/b3*5-3+;