(2E)-2-[(2-bromophenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[(2-bromophenyl)methylidene]-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[(2-bromophenyl)methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[(2-bromophenyl)methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[(2-bromophenyl)methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-(2-bromophenyl)-2-isobutyryl-acrylonitrile Formula: C13H12BrNO MolecularWeight: 278.14448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C(=CC1=CC=CC=C1Br)C#N

Isomeric SMILES

CC(C)C(=O)/C(=C/C1=CC=CC=C1Br)/C#N

InChI

InChI=1S/C13H12BrNO/c1-9(2)13(16)11(8-15)7-10-5-3-4-6-12(10)14/h3-7,9H,1-2H3/b11-7+