3-(2-methylpropyl)-5-phenyl-1,2,4-trioxolane-3-carbonitrile

Systemtic Name: 3-(2-methylpropyl)-5-phenyl-1,2,4-trioxolane-3-carbonitrile Openeye Name: 3-isobutyl-5-phenyl-1,2,4-trioxolane-3-carbonitrile CAS Name: 3-(2-methylpropyl)-5-phenyl-1,2,4-trioxolane-3-carbonitrile IUPAC Name: 3-(2-methylpropyl)-5-phenyl-1,2,4-trioxolane-3-carbonitrile Traditional Name: 3-isobutyl-5-phenyl-1,2,4-trioxolane-3-carbonitrile Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(OC(OO1)C2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)CC1(OC(OO1)C2=CC=CC=C2)C#N

InChI

InChI=1S/C13H15NO3/c1-10(2)8-13(9-14)15-12(16-17-13)11-6-4-3-5-7-11/h3-7,10,12H,8H2,1-2H3