[2-cyano-1-(2-cyanopropyldiazenyl)-2-methyl-3-oxidanylidene-3-phenyl-propyl] benzenecarboperoxoate

Systemtic Name: [2-cyano-1-(2-cyanopropyldiazenyl)-2-methyl-3-oxidanylidene-3-phenyl-propyl] benzenecarboperoxoate Openeye Name: [2-cyano-1-(2-cyanopropylazo)-2-methyl-3-oxo-3-phenyl-propyl] benzenecarboperoxoate CAS Name: benzenecarboperoxoic acid [2-cyano-1-(2-cyanopropylazo)-2-methyl-3-oxo-3-phenylpropyl] ester IUPAC Name: [2-cyano-1-(2-cyanopropyldiazenyl)-2-methyl-3-oxo-3-phenylpropyl] benzenecarboperoxoate Traditional Name: benzenecarboperoxoic acid [2-cyano-1-(2-cyanopropylazo)-3-keto-2-methyl-3-phenyl-propyl] ester Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O4/c1-16(13-23)14-25-26-21(30-29-20(28)18-11-7-4-8-12-18)22(2,15-24)19(27)17-9-5-3-6-10-17/h3-12,16,21H,14H2,1-2H3