(2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-4-methyl-4-oxidanyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-4-methyl-4-oxidanyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-4-hydroxy-4-methyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4-hydroxy-4-methyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4-hydroxy-4-methyl-3-oxopentanenitrile Traditional Name: (Z)-3-(4-chloro-2-nitro-phenyl)-3-hydroxy-2-(2-hydroxy-2-methyl-propanoyl)acrylonitrile Formula: C13H11ClN2O5 MolecularWeight: 310.68984

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O5/c1-13(2,19)12(18)9(6-15)11(17)8-4-3-7(14)5-10(8)16(20)21/h3-5,17,19H,1-2H3/b11-9-