2-(3,4-dimethylphenyl)-4-(dioxidanyl)-2-methyl-pent-4-enenitrile

Systemtic Name: 2-(3,4-dimethylphenyl)-4-(dioxidanyl)-2-methyl-pent-4-enenitrile Openeye Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-methyl-pent-4-enenitrile CAS Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-methyl-4-pentenenitrile IUPAC Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-methylpent-4-enenitrile Traditional Name: 2-(3,4-dimethylphenyl)-4-hydroperoxy-2-methyl-pent-4-enenitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)(CC(=C)OO)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C)(CC(=C)OO)C#N)C

InChI

InChI=1S/C14H17NO2/c1-10-5-6-13(7-11(10)2)14(4,9-15)8-12(3)17-16/h5-7,16H,3,8H2,1-2,4H3