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

Systemtic Name: (2E)-2-[(4-bromanyl-3-nitro-phenyl)methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-bromo-3-nitro-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(4-bromo-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(4-bromo-3-nitrophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-(4-bromo-3-nitro-phenyl)-2-pivaloyl-acrylonitrile Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O3/c1-14(2,3)13(18)10(8-16)6-9-4-5-11(15)12(7-9)17(19)20/h4-7H,1-3H3/b10-6+