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

Systemtic Name: (2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-3-oxo-pentanenitrile CAS Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-3-oxopentanenitrile IUPAC Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-3-oxopentanenitrile Traditional Name: (Z)-3-(4-chloro-2-nitro-phenyl)-3-hydroxy-2-propionyl-acrylonitrile Formula: C12H9ClN2O4 MolecularWeight: 280.66386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O4/c1-2-11(16)9(6-14)12(17)8-4-3-7(13)5-10(8)15(18)19/h3-5,17H,2H2,1H3/b12-9-