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

Systemtic Name: copper (E)-1-(4-chloranyl-2-nitro-phenyl)-2-cyano-4-methyl-3-oxidanylidene-pent-1-en-1-olate Openeye Name: copper (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-4-methyl-3-oxo-pent-1-en-1-olate CAS Name: copper (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxo-1-penten-1-olate IUPAC Name: copper (E)-1-(4-chloro-2-nitrophenyl)-2-cyano-4-methyl-3-oxopent-1-en-1-olate Traditional Name: cupric (E)-1-(4-chloro-2-nitro-phenyl)-2-cyano-3-keto-4-methyl-pent-1-en-1-olate Formula: C26H20Cl2CuN4O8 MolecularWeight: 650.911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H11ClN2O4.Cu/c2*1-7(2)12(17)10(6-15)13(18)9-4-3-8(14)5-11(9)16(19)20;/h2*3-5,7,18H,1-2H3;/q;;+2/p-2/b2*13-10+;