5-(3,3-dimethylbutanoyl)-2-(oxiran-2-ylmethoxy)benzenecarbonitrile

Systemtic Name: 5-(3,3-dimethylbutanoyl)-2-(oxiran-2-ylmethoxy)benzenecarbonitrile Openeye Name: 5-(3,3-dimethylbutanoyl)-2-(oxiran-2-ylmethoxy)benzonitrile CAS Name: 5-(3,3-dimethyl-1-oxobutyl)-2-(2-oxiranylmethoxy)benzonitrile IUPAC Name: 5-(3,3-dimethylbutanoyl)-2-(oxiran-2-ylmethoxy)benzonitrile Traditional Name: 5-(3,3-dimethylbutanoyl)-2-glycidoxy-benzonitrile Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CC(=C(C=C1)OCC2CO2)C#N

Isomeric SMILES

CC(C)(C)CC(=O)C1=CC(=C(C=C1)OCC2CO2)C#N

InChI

InChI=1S/C16H19NO3/c1-16(2,3)7-14(18)11-4-5-15(12(6-11)8-17)20-10-13-9-19-13/h4-6,13H,7,9-10H2,1-3H3