(2E)-2-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[5-(2-bromanyl-4-nitro-phenyl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[5-(2-bromo-4-nitrophenyl)-2-furanyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[5-(2-bromo-4-nitro-phenyl)-2-furyl]-2-pivaloyl-acrylonitrile Formula: C18H15BrN2O4 MolecularWeight: 403.2267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Br)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(O1)C2=C(C=C(C=C2)[N+](=O)[O-])Br)/C#N

InChI

InChI=1S/C18H15BrN2O4/c1-18(2,3)17(22)11(10-20)8-13-5-7-16(25-13)14-6-4-12(21(23)24)9-15(14)19/h4-9H,1-3H3/b11-8+