2-tert-butylbenzenecarboperoxoic acid; 3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile

Systemtic Name: 2-tert-butylbenzenecarboperoxoic acid; 3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile Openeye Name: 2-tert-butylbenzenecarboperoxoic acid; 3-(2-cyanopropylazo)-2-methyl-propanenitrile CAS Name: 2-tert-butylbenzenecarboperoxoic acid; 3-(2-cyanopropylazo)-2-methylpropanenitrile IUPAC Name: 2-tert-butylbenzenecarboperoxoic acid; 3-(2-cyanopropyldiazenyl)-2-methylpropanenitrile Traditional Name: 2-tert-butylperbenzoic acid; 3-(2-cyanopropylazo)-2-methyl-propionitrile Formula: C19H26N4O3 MolecularWeight: 358.43474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=NCC(C)C#N)C#N.CC(C)(C)C1=CC=CC=C1C(=O)OO

Isomeric SMILES

CC(CN=NCC(C)C#N)C#N.CC(C)(C)C1=CC=CC=C1C(=O)OO

InChI

InChI=1S/C11H14O3.C8H12N4/c1-11(2,3)9-7-5-4-6-8(9)10(12)14-13;1-7(3-9)5-11-12-6-8(2)4-10/h4-7,13H,1-3H3;7-8H,5-6H2,1-2H3