3,5-bis(bromanyl)-2-butyl-4-(cyanomethyl)benzenecarbonitrile

Systemtic Name: 3,5-bis(bromanyl)-2-butyl-4-(cyanomethyl)benzenecarbonitrile Openeye Name: 3,5-dibromo-2-butyl-4-(cyanomethyl)benzonitrile CAS Name: 3,5-dibromo-2-butyl-4-(cyanomethyl)benzonitrile IUPAC Name: 3,5-dibromo-2-butyl-4-(cyanomethyl)benzonitrile Traditional Name: 3,5-dibromo-2-butyl-4-(cyanomethyl)benzonitrile Formula: C13H12Br2N2 MolecularWeight: 356.05578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12Br2N2/c1-2-3-4-10-9(8-17)7-12(14)11(5-6-16)13(10)15/h7H,2-5H2,1H3