3,5-dimethyl-4-(4-oxidanylidenebutoxy)benzenecarbonitrile

Systemtic Name: 3,5-dimethyl-4-(4-oxidanylidenebutoxy)benzenecarbonitrile Openeye Name: 3,5-dimethyl-4-(4-oxobutoxy)benzonitrile CAS Name: 3,5-dimethyl-4-(4-oxobutoxy)benzonitrile IUPAC Name: 3,5-dimethyl-4-(4-oxobutoxy)benzonitrile Traditional Name: 4-(4-ketobutoxy)-3,5-dimethyl-benzonitrile Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCCCC=O)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OCCCC=O)C)C#N

InChI

InChI=1S/C13H15NO2/c1-10-7-12(9-14)8-11(2)13(10)16-6-4-3-5-15/h5,7-8H,3-4,6H2,1-2H3