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

Systemtic Name: 2-bromanyl-5-(cyanomethyl)-3-propyl-benzenecarbonitrile Openeye Name: 2-bromo-5-(cyanomethyl)-3-propyl-benzonitrile CAS Name: 2-bromo-5-(cyanomethyl)-3-propylbenzonitrile IUPAC Name: 2-bromo-5-(cyanomethyl)-3-propylbenzonitrile Traditional Name: 2-bromo-5-(cyanomethyl)-3-propyl-benzonitrile Formula: C12H11BrN2 MolecularWeight: 263.13314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC#N)C#N)Br

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC#N)C#N)Br

InChI

InChI=1S/C12H11BrN2/c1-2-3-10-6-9(4-5-14)7-11(8-15)12(10)13/h6-7H,2-4H2,1H3