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

Systemtic Name: (2E)-4-(2-chlorophenyl)-4-methyl-2-[nitro(oxidanyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4-(2-chlorophenyl)-2-[hydroxy(nitro)methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-4-(2-chlorophenyl)-2-[hydroxy(nitro)methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-4-(2-chlorophenyl)-2-[hydroxy(nitro)methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-2-[2-(2-chlorophenyl)-2-methyl-propanoyl]-3-hydroxy-3-nitro-acrylonitrile Formula: C13H11ClN2O4 MolecularWeight: 294.69044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1Cl)C(=O)C(=C([N+](=O)[O-])O)C#N

Isomeric SMILES

CC(C)(C1=CC=CC=C1Cl)C(=O)/C(=C(\[N+](=O)[O-])/O)/C#N

InChI

InChI=1S/C13H11ClN2O4/c1-13(2,9-5-3-4-6-10(9)14)11(17)8(7-15)12(18)16(19)20/h3-6,18H,1-2H3/b12-8+