3-(3,3-dimethyl-2-oxidanylidene-butoxy)benzenecarbonitrile

Systemtic Name: 3-(3,3-dimethyl-2-oxidanylidene-butoxy)benzenecarbonitrile Openeye Name: 3-(3,3-dimethyl-2-oxo-butoxy)benzonitrile CAS Name: 3-(3,3-dimethyl-2-oxobutoxy)benzonitrile IUPAC Name: 3-(3,3-dimethyl-2-oxobutoxy)benzonitrile Traditional Name: 3-(2-keto-3,3-dimethyl-butoxy)benzonitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)(C)C(=O)COC1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H15NO2/c1-13(2,3)12(15)9-16-11-6-4-5-10(7-11)8-14/h4-7H,9H2,1-3H3