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

Systemtic Name: (2E)-2-[(4-chloranyl-2-nitro-phenyl)-oxidanyl-methylidene]-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-chloro-2-nitro-phenyl)-hydroxy-methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-chloro-2-nitro-phenyl)-3-hydroxy-2-isobutyryl-acrylonitrile Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN2O4/c1-7(2)12(17)10(6-15)13(18)9-4-3-8(14)5-11(9)16(19)20/h3-5,7,18H,1-2H3/b13-10+