3-ethylaziridin-2-one; 5-ethyl-2-(oxiran-2-ylmethoxy)benzenecarbonitrile

Systemtic Name: 3-ethylaziridin-2-one; 5-ethyl-2-(oxiran-2-ylmethoxy)benzenecarbonitrile Openeye Name: 3-ethylaziridin-2-one; 5-ethyl-2-(oxiran-2-ylmethoxy)benzonitrile CAS Name: 3-ethyl-2-aziridinone; 5-ethyl-2-(2-oxiranylmethoxy)benzonitrile IUPAC Name: 3-ethylaziridin-2-one; 5-ethyl-2-(oxiran-2-ylmethoxy)benzonitrile Traditional Name: 3-ethylethylenimin-2-one; 5-ethyl-2-glycidoxy-benzonitrile Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N1.CCC1=CC(=C(C=C1)OCC2CO2)C#N

Isomeric SMILES

CCC1C(=O)N1.CCC1=CC(=C(C=C1)OCC2CO2)C#N

InChI

InChI=1S/C12H13NO2.C4H7NO/c1-2-9-3-4-12(10(5-9)6-13)15-8-11-7-14-11;1-2-3-4(6)5-3/h3-5,11H,2,7-8H2,1H3;3H,2H2,1H3,(H,5,6)