2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-4-methyl-3-oxidanyl-benzenecarbonitrile

Systemtic Name: 2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-4-methyl-3-oxidanyl-benzenecarbonitrile Openeye Name: 2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-3-hydroxy-4-methyl-benzonitrile CAS Name: 2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-3-hydroxy-4-methylbenzonitrile IUPAC Name: 2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-3-hydroxy-4-methylbenzonitrile Traditional Name: 2-(3,6-dioxabicyclo[3.1.0]hexan-5-ylmethyl)-3-hydroxy-4-methyl-benzonitrile Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C#N)CC23COCC2O3)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C#N)CC23COCC2O3)O

InChI

InChI=1S/C13H13NO3/c1-8-2-3-9(5-14)10(12(8)15)4-13-7-16-6-11(13)17-13/h2-3,11,15H,4,6-7H2,1H3