6-bromanyl-2-butan-2-yl-3-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 6-bromanyl-2-butan-2-yl-3-(cyanomethyl)benzenecarbonitrile Openeye Name: 6-bromo-3-(cyanomethyl)-2-sec-butyl-benzonitrile CAS Name: 6-bromo-2-butan-2-yl-3-(cyanomethyl)benzonitrile IUPAC Name: 6-bromo-2-butan-2-yl-3-(cyanomethyl)benzonitrile Traditional Name: 6-bromo-3-(cyanomethyl)-2-sec-butyl-benzonitrile Formula: C13H13BrN2 MolecularWeight: 277.15972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13BrN2/c1-3-9(2)13-10(6-7-15)4-5-12(14)11(13)8-16/h4-5,9H,3,6H2,1-2H3