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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O4/c1-3-8(2)13(18)11(7-16)14(19)10-5-4-9(15)6-12(10)17(20)21/h4-6,8,19H,3H2,1-2H3/b14-11+