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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C=C1C#N)CC#N)Br

Isomeric SMILES

CCC(C)C1=CC(=C(C=C1C#N)CC#N)Br

InChI

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