2-bromanyl-3-butyl-5-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-butyl-5-(cyanomethyl)benzenecarbonitrile Openeye Name: 2-bromo-3-butyl-5-(cyanomethyl)benzonitrile CAS Name: 2-bromo-3-butyl-5-(cyanomethyl)benzonitrile IUPAC Name: 2-bromo-3-butyl-5-(cyanomethyl)benzonitrile Traditional Name: 2-bromo-3-butyl-5-(cyanomethyl)benzonitrile Formula: C13H13BrN2 MolecularWeight: 277.15972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=C1)CC#N)C#N)Br

Isomeric SMILES

CCCCC1=C(C(=CC(=C1)CC#N)C#N)Br

InChI

InChI=1S/C13H13BrN2/c1-2-3-4-11-7-10(5-6-15)8-12(9-16)13(11)14/h7-8H,2-5H2,1H3