magnesium (E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate

Systemtic Name: magnesium (E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate Openeye Name: magnesium (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-en-1-olate CAS Name: magnesium (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxo-1-penten-1-olate IUPAC Name: magnesium (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-olate Traditional Name: magnesium (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-en-1-olate Formula: C28H24Cl2MgN4O8 MolecularWeight: 639.72316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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