(2E)-2-[(4-chloranyl-3,5-dimethyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(4-chloranyl-3,5-dimethyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-chloro-3,5-dimethyl-2-nitro-phenyl)-hydroxy-methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(4-chloro-3,5-dimethyl-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(4-chloro-3,5-dimethyl-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-chloro-3,5-dimethyl-2-nitro-phenyl)-3-hydroxy-2-pivaloyl-acrylonitrile Formula: C16H17ClN2O4 MolecularWeight: 336.77018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=C(C#N)C(=O)C(C)(C)C)O)[N+](=O)[O-])C)Cl

Isomeric SMILES

CC1=C(C(=C(C(=C1)/C(=C(/C#N)\C(=O)C(C)(C)C)/O)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C16H17ClN2O4/c1-8-6-10(13(19(22)23)9(2)12(8)17)14(20)11(7-18)15(21)16(3,4)5/h6,20H,1-5H3/b14-11+