(2Z)-2-[(4-tert-butyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[(4-tert-butyl-2-nitro-phenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[(4-tert-butyl-2-nitro-phenyl)-hydroxy-methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[(4-tert-butyl-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[(4-tert-butyl-2-nitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-(4-tert-butyl-2-nitro-phenyl)-3-hydroxy-2-pivaloyl-acrylonitrile Formula: C18H22N2O4 MolecularWeight: 330.37828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O4/c1-17(2,3)11-7-8-12(14(9-11)20(23)24)15(21)13(10-19)16(22)18(4,5)6/h7-9,21H,1-6H3/b15-13-