zinc (E)-1-(4-chloranyl-5-methoxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate

Systemtic Name: zinc (E)-1-(4-chloranyl-5-methoxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxidanylidene-pent-1-en-1-olate Openeye Name: zinc (E)-1-(4-chloro-5-methoxy-2-nitro-phenyl)-2-cyano-4,4-dimethyl-3-oxo-pent-1-en-1-olate CAS Name: zinc (E)-1-(4-chloro-5-methoxy-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxo-1-penten-1-olate IUPAC Name: zinc (E)-1-(4-chloro-5-methoxy-2-nitrophenyl)-2-cyano-4,4-dimethyl-3-oxopent-1-en-1-olate Traditional Name: zinc (E)-1-(4-chloro-5-methoxy-2-nitro-phenyl)-2-cyano-3-keto-4,4-dimethyl-pent-1-en-1-olate Formula: C30H28Cl2N4O10Zn MolecularWeight: 740.87912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H15ClN2O5.Zn/c2*1-15(2,3)14(20)9(7-17)13(19)8-5-12(23-4)10(16)6-11(8)18(21)22;/h2*5-6,19H,1-4H3;/q;;+2/p-2/b2*13-9+;