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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1C#N)CC#N)Br

Isomeric SMILES

CCCCC1=C(C=C(C=C1C#N)CC#N)Br

InChI

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