3-chloranyl-3-[4-(2-methylpropyl)phenyl]-2-oxidanyl-propanenitrile

Systemtic Name: 3-chloranyl-3-[4-(2-methylpropyl)phenyl]-2-oxidanyl-propanenitrile Openeye Name: 3-chloro-2-hydroxy-3-(4-isobutylphenyl)propanenitrile CAS Name: 3-chloro-2-hydroxy-3-[4-(2-methylpropyl)phenyl]propanenitrile IUPAC Name: 3-chloro-2-hydroxy-3-[4-(2-methylpropyl)phenyl]propanenitrile Traditional Name: 3-chloro-2-hydroxy-3-(4-isobutylphenyl)propionitrile Formula: C13H16ClNO MolecularWeight: 237.72524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C(C#N)O)Cl

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C(C#N)O)Cl

InChI

InChI=1S/C13H16ClNO/c1-9(2)7-10-3-5-11(6-4-10)13(14)12(16)8-15/h3-6,9,12-13,16H,7H2,1-2H3