(2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-hexanenitrile Openeye Name: (2Z)-2-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-4,4-dimethyl-3-oxo-hexanenitrile CAS Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxohexanenitrile IUPAC Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxohexanenitrile Traditional Name: (Z)-3-(4-chloro-2-nitro-phenyl)-2-(2,2-dimethylbutanoyl)-3-hydroxy-acrylonitrile Formula: C15H15ClN2O4 MolecularWeight: 322.7436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O4/c1-4-15(2,3)14(20)11(8-17)13(19)10-6-5-9(16)7-12(10)18(21)22/h5-7,19H,4H2,1-3H3/b13-11-