magnesium (E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4-methyl-3-oxidanylidene-hex-1-en-1-olate

Systemtic Name: magnesium (E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4-methyl-3-oxidanylidene-hex-1-en-1-olate Openeye Name: magnesium (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4-methyl-3-oxo-hex-1-en-1-olate CAS Name: magnesium (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxo-1-hexen-1-olate IUPAC Name: magnesium (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxohex-1-en-1-olate Traditional Name: magnesium (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4-methyl-hex-1-en-1-olate Formula: C28H24Cl2MgN4O8 MolecularWeight: 639.72316

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])[O-])C#N.CCC(C)C(=O)C(=C(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])[O-])C#N.[Mg+2]

Isomeric SMILES

CCC(C(=O)/C(=C(/[O-])\C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/C#N)C.CCC(C(=O)/C(=C(/[O-])\C1=C(C=C(C=C1)Cl)[N+](=O)[O-])/C#N)C.[Mg+2]

InChI

InChI=1S/2C14H13ClN2O4.Mg/c2*1-3-8(2)13(18)11(7-16)14(19)10-5-4-9(15)6-12(10)17(20)21;/h2*4-6,8,19H,3H2,1-2H3;/q;;+2/p-2/b2*14-11+;