3-bromanyl-4-(cyanomethyl)-2-propyl-benzenecarbonitrile

Systemtic Name: 3-bromanyl-4-(cyanomethyl)-2-propyl-benzenecarbonitrile Openeye Name: 3-bromo-4-(cyanomethyl)-2-propyl-benzonitrile CAS Name: 3-bromo-4-(cyanomethyl)-2-propylbenzonitrile IUPAC Name: 3-bromo-4-(cyanomethyl)-2-propylbenzonitrile Traditional Name: 3-bromo-4-(cyanomethyl)-2-propyl-benzonitrile Formula: C12H11BrN2 MolecularWeight: 263.13314

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1Br)CC#N)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1Br)CC#N)C#N

InChI

InChI=1S/C12H11BrN2/c1-2-3-11-10(8-15)5-4-9(6-7-14)12(11)13/h4-5H,2-3,6H2,1H3