(2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-5-methyl-3-oxidanylidene-hexanenitrile

Systemtic Name: (2Z)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-5-methyl-3-oxidanylidene-hexanenitrile Openeye Name: (2Z)-2-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-5-methyl-3-oxo-hexanenitrile CAS Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-5-methyl-3-oxohexanenitrile IUPAC Name: (2Z)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-5-methyl-3-oxohexanenitrile Traditional Name: (Z)-3-(4-chloro-2-nitro-phenyl)-3-hydroxy-2-isovaleryl-acrylonitrile Formula: C14H13ClN2O4 MolecularWeight: 308.71702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O4/c1-8(2)5-13(18)11(7-16)14(19)10-4-3-9(15)6-12(10)17(20)21/h3-4,6,8,19H,5H2,1-2H3/b14-11-