[4-[2-[(4-cyano-2-oxidanyl-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate

Systemtic Name: [4-[2-[(4-cyano-2-oxidanyl-phenyl)carbonylamino]propanoyl]phenyl] butaneperoxoate Openeye Name: [4-[2-[(4-cyano-2-hydroxy-benzoyl)amino]propanoyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[2-[[(4-cyano-2-hydroxyphenyl)-oxomethyl]amino]-1-oxopropyl]phenyl] ester IUPAC Name: [4-[2-[(4-cyano-2-hydroxybenzoyl)amino]propanoyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[2-[(4-cyano-2-hydroxy-benzoyl)amino]propanoyl]phenyl] ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C#N)O

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)C(C)NC(=O)C2=C(C=C(C=C2)C#N)O

InChI

InChI=1S/C21H20N2O6/c1-3-4-19(25)29-28-16-8-6-15(7-9-16)20(26)13(2)23-21(27)17-10-5-14(12-22)11-18(17)24/h5-11,13,24H,3-4H2,1-2H3,(H,23,27)