3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile; phenylcarbonyl benzenecarboperoxoate

Systemtic Name: 3-(2-cyanopropyldiazenyl)-2-methyl-propanenitrile; phenylcarbonyl benzenecarboperoxoate Openeye Name: benzoyl benzenecarboperoxoate; 3-(2-cyanopropylazo)-2-methyl-propanenitrile CAS Name: benzenecarboperoxoic acid benzoyl ester; 3-(2-cyanopropylazo)-2-methylpropanenitrile IUPAC Name: benzoyl benzenecarboperoxoate; 3-(2-cyanopropyldiazenyl)-2-methylpropanenitrile Traditional Name: benzenecarboperoxoic acid benzoyl ester; 3-(2-cyanopropylazo)-2-methyl-propionitrile Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=NCC(C)C#N)C#N.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CN=NCC(C)C#N)C#N.C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10O4.C8H12N4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12;1-7(3-9)5-11-12-6-8(2)4-10/h1-10H;7-8H,5-6H2,1-2H3