2-bromanyl-4-butan-2-yl-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 2-bromanyl-4-butan-2-yl-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 2-bromo-5-(cyanomethyl)-4-sec-butyl-benzonitrile CAS Name: 2-bromo-4-butan-2-yl-5-(cyanomethyl)benzonitrile IUPAC Name: 2-bromo-4-butan-2-yl-5-(cyanomethyl)benzonitrile Traditional Name: 2-bromo-5-(cyanomethyl)-4-sec-butyl-benzonitrile Formula: C13H13BrN2 MolecularWeight: 277.15972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C(=C1)Br)C#N)CC#N

Isomeric SMILES

CCC(C)C1=C(C=C(C(=C1)Br)C#N)CC#N

InChI

InChI=1S/C13H13BrN2/c1-3-9(2)12-7-13(14)11(8-16)6-10(12)4-5-15/h6-7,9H,3-4H2,1-2H3