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

Systemtic Name: (2E)-4,4-dimethyl-2-[(3-nitro-4-propan-2-yl-phenyl)methylidene]-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(4-isopropyl-3-nitro-phenyl)methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-4,4-dimethyl-2-[(3-nitro-4-propan-2-ylphenyl)methylidene]-3-oxopentanenitrile IUPAC Name: (2E)-4,4-dimethyl-2-[(3-nitro-4-propan-2-ylphenyl)methylidene]-3-oxopentanenitrile Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)-2-pivaloyl-acrylonitrile Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3/c1-11(2)14-7-6-12(9-15(14)19(21)22)8-13(10-18)16(20)17(3,4)5/h6-9,11H,1-5H3/b13-8+