(2E)-4,4-dimethyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-4,4-dimethyl-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-4,4-dimethyl-2-[(3-nitrophenyl)methylene]-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[(3-nitrophenyl)methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[(3-nitrophenyl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(3-nitrophenyl)-2-pivaloyl-acrylonitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c1-14(2,3)13(17)11(9-15)7-10-5-4-6-12(8-10)16(18)19/h4-8H,1-3H3/b11-7+