4-methoxy-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzenecarbonitrile

Systemtic Name: 4-methoxy-3-(3-methyl-3-oxidanyl-but-1-ynyl)benzenecarbonitrile Openeye Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-4-methoxy-benzonitrile CAS Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-4-methoxybenzonitrile IUPAC Name: 3-(3-hydroxy-3-methylbut-1-ynyl)-4-methoxybenzonitrile Traditional Name: 3-(3-hydroxy-3-methyl-but-1-ynyl)-4-methoxy-benzonitrile Formula: C13H13NO2 MolecularWeight: 215.24782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2/c1-13(2,15)7-6-11-8-10(9-14)4-5-12(11)16-3/h4-5,8,15H,1-3H3