(2E,4E,6S,7R)-7-azido-6-methoxy-octa-2,4-dienenitrile; carbon monoxide; iron

Systemtic Name: (2E,4E,6S,7R)-7-azido-6-methoxy-octa-2,4-dienenitrile; carbon monoxide; iron Openeye Name: (2E,4E,6S,7R)-7-azido-6-methoxy-octa-2,4-dienenitrile; carbon monoxide; iron CAS Name: (2E,4E,6S,7R)-7-azido-6-methoxyocta-2,4-dienenitrile; carbon monoxide; iron IUPAC Name: (2E,4E,6S,7R)-7-azido-6-methoxyocta-2,4-dienenitrile; carbon monoxide; iron Traditional Name: (2E,4E,6S,7R)-7-azido-6-methoxy-octa-2,4-dienenitrile; carbon monoxide; iron Formula: C12H12FeN4O4 MolecularWeight: 332.09308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]([C@H](/C=C/C=C/C#N)OC)N=[N+]=[N-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C9H12N4O.3CO.Fe/c1-8(12-13-11)9(14-2)6-4-3-5-7-10;3*1-2;/h3-6,8-9H,1-2H3;;;;/b5-3+,6-4+;;;;/t8-,9+;;;;/m1..../s1