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

Systemtic Name: 4-bromanyl-2-butan-2-yl-3-(cyanomethyl)benzenecarbonitrile Openeye Name: 4-bromo-3-(cyanomethyl)-2-sec-butyl-benzonitrile CAS Name: 4-bromo-2-butan-2-yl-3-(cyanomethyl)benzonitrile IUPAC Name: 4-bromo-2-butan-2-yl-3-(cyanomethyl)benzonitrile Traditional Name: 4-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(=C1CC#N)Br)C#N

Isomeric SMILES

CCC(C)C1=C(C=CC(=C1CC#N)Br)C#N

InChI

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