carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one

Systemtic Name: carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one Openeye Name: carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one CAS Name: carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one IUPAC Name: carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one Traditional Name: carbon monoxide; iron; (1S,5S)-9-methoxy-1-methyl-3-phenyl-3-azaspiro[4.5]deca-7,9-dien-4-one Formula: C20H19FeNO5 MolecularWeight: 409.21356

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C12CC=CC(=C2)OC)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

C[C@@H]1CN(C(=O)[C@@]12CC=CC(=C2)OC)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H19NO2.3CO.Fe/c1-13-12-18(14-7-4-3-5-8-14)16(19)17(13)10-6-9-15(11-17)20-2;3*1-2;/h3-9,11,13H,10,12H2,1-2H3;;;;/t13-,17-;;;;/m1..../s1