(3-azanyl-2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxy-5-methyl-phenyl) ethanoate; carbon monoxide; iron

Systemtic Name: (3-azanyl-2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxy-5-methyl-phenyl) ethanoate; carbon monoxide; iron Openeye Name: (3-amino-2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxy-5-methyl-phenyl) acetate; carbon monoxide; iron CAS Name: acetic acid [3-amino-2-(1-cyclohexa-2,4-dienyl)-4,6-dimethoxy-5-methylphenyl] ester; carbon monoxide; iron IUPAC Name: (3-amino-2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxy-5-methylphenyl) acetate; carbon monoxide; iron Traditional Name: acetic acid (3-amino-2-cyclohexa-2,4-dien-1-yl-4,6-dimethoxy-5-methyl-phenyl) ester; carbon monoxide; iron Formula: C20H21FeNO7 MolecularWeight: 443.22824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1OC)OC(=O)C)C2CC=CC=C2)N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

Isomeric SMILES

CC1=C(C(=C(C(=C1OC)OC(=O)C)C2CC=CC=C2)N)OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]

InChI

InChI=1S/C17H21NO4.3CO.Fe/c1-10-15(20-3)14(18)13(12-8-6-5-7-9-12)17(16(10)21-4)22-11(2)19;3*1-2;/h5-8,12H,9,18H2,1-4H3;;;;