2-cyclobut-2-en-1-yl-3-(2-iodanyl-3-methyl-phenyl)propanenitrile

Systemtic Name: 2-cyclobut-2-en-1-yl-3-(2-iodanyl-3-methyl-phenyl)propanenitrile Openeye Name: 2-cyclobut-2-en-1-yl-3-(2-iodo-3-methyl-phenyl)propanenitrile CAS Name: 2-(1-cyclobut-2-enyl)-3-(2-iodo-3-methylphenyl)propanenitrile IUPAC Name: 2-cyclobut-2-en-1-yl-3-(2-iodo-3-methylphenyl)propanenitrile Traditional Name: 2-cyclobut-2-en-1-yl-3-(2-iodo-3-methyl-phenyl)propionitrile Formula: C14H14IN MolecularWeight: 323.17213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CC(C#N)C2CC=C2)I

Isomeric SMILES

CC1=C(C(=CC=C1)CC(C#N)C2CC=C2)I

InChI

InChI=1S/C14H14IN/c1-10-4-2-7-12(14(10)15)8-13(9-16)11-5-3-6-11/h2-5,7,11,13H,6,8H2,1H3