5-(cyanomethyl)-3-iodanyl-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-3-iodanyl-2-propan-2-yl-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-3-iodo-2-isopropyl-benzonitrile CAS Name: 5-(cyanomethyl)-3-iodo-2-propan-2-ylbenzonitrile IUPAC Name: 5-(cyanomethyl)-3-iodo-2-propan-2-ylbenzonitrile Traditional Name: 5-(cyanomethyl)-3-iodo-2-isopropyl-benzonitrile Formula: C12H11IN2 MolecularWeight: 310.13361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1C#N)CC#N)I

Isomeric SMILES

CC(C)C1=C(C=C(C=C1C#N)CC#N)I

InChI

InChI=1S/C12H11IN2/c1-8(2)12-10(7-15)5-9(3-4-14)6-11(12)13/h5-6,8H,3H2,1-2H3