6-methoxy-3-oxidanyl-2-pentan-3-yl-benzenecarbonitrile

Systemtic Name: 6-methoxy-3-oxidanyl-2-pentan-3-yl-benzenecarbonitrile Openeye Name: 2-(1-ethylpropyl)-3-hydroxy-6-methoxy-benzonitrile CAS Name: 3-hydroxy-6-methoxy-2-pentan-3-ylbenzonitrile IUPAC Name: 3-hydroxy-6-methoxy-2-pentan-3-ylbenzonitrile Traditional Name: 2-(1-ethylpropyl)-3-hydroxy-6-methoxy-benzonitrile Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(C=CC(=C1C#N)OC)O

Isomeric SMILES

CCC(CC)C1=C(C=CC(=C1C#N)OC)O

InChI

InChI=1S/C13H17NO2/c1-4-9(5-2)13-10(8-14)12(16-3)7-6-11(13)15/h6-7,9,15H,4-5H2,1-3H3