2,2-dimethyl-3-oxidanylidene-4-(4-oxidanylphenoxy)butanenitrile

Systemtic Name: 2,2-dimethyl-3-oxidanylidene-4-(4-oxidanylphenoxy)butanenitrile Openeye Name: 4-(4-hydroxyphenoxy)-2,2-dimethyl-3-oxo-butanenitrile CAS Name: 4-(4-hydroxyphenoxy)-2,2-dimethyl-3-oxobutanenitrile IUPAC Name: 4-(4-hydroxyphenoxy)-2,2-dimethyl-3-oxobutanenitrile Traditional Name: 4-(4-hydroxyphenoxy)-3-keto-2,2-dimethyl-butyronitrile Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-12(2,8-13)11(15)7-16-10-5-3-9(14)4-6-10/h3-6,14H,7H2,1-2H3