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

Systemtic Name: (2E)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[5-(4-bromophenyl)-2-furyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[5-(4-bromophenyl)-2-furanyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[5-(4-bromophenyl)furan-2-yl]methylidene]-4,4-dimethyl-3-oxopentanenitrile Traditional Name: (E)-3-[5-(4-bromophenyl)-2-furyl]-2-pivaloyl-acrylonitrile Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)Br)C#N

Isomeric SMILES

CC(C)(C)C(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C18H16BrNO2/c1-18(2,3)17(21)13(11-20)10-15-8-9-16(22-15)12-4-6-14(19)7-5-12/h4-10H,1-3H3/b13-10+