(2Z)-2-[(2,4-dinitrophenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2Z)-2-[(2,4-dinitrophenyl)-oxidanyl-methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2Z)-2-[(2,4-dinitrophenyl)-hydroxy-methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2Z)-2-[(2,4-dinitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2Z)-2-[(2,4-dinitrophenyl)-hydroxymethylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (Z)-3-(2,4-dinitrophenyl)-3-hydroxy-2-pivaloyl-acrylonitrile Formula: C14H13N3O6 MolecularWeight: 319.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6/c1-14(2,3)13(19)10(7-15)12(18)9-5-4-8(16(20)21)6-11(9)17(22)23/h4-6,18H,1-3H3/b12-10-