3-(2,5-dimethylphenoxy)-2-phenyl-propanenitrile; 1,2-oxazirene

Systemtic Name: 3-(2,5-dimethylphenoxy)-2-phenyl-propanenitrile; 1,2-oxazirene Openeye Name: 3-(2,5-dimethylphenoxy)-2-phenyl-propanenitrile; oxazirene CAS Name: 3-(2,5-dimethylphenoxy)-2-phenylpropanenitrile; oxazirine IUPAC Name: 3-(2,5-dimethylphenoxy)-2-phenylpropanenitrile; oxazirene Traditional Name: 3-(2,5-dimethylphenoxy)-2-phenyl-propionitrile; oxazirine Formula: C18H18N2O2 MolecularWeight: 294.34772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(C#N)C2=CC=CC=C2.C1=NO1

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(C#N)C2=CC=CC=C2.C1=NO1

InChI

InChI=1S/C17H17NO.CHNO/c1-13-8-9-14(2)17(10-13)19-12-16(11-18)15-6-4-3-5-7-15;1-2-3-1/h3-10,16H,12H2,1-2H3;1H