ethanoyl 4-[2,3-bis(2-chloroethylamino)phenyl]butaneperoxoate

Systemtic Name: ethanoyl 4-[2,3-bis(2-chloroethylamino)phenyl]butaneperoxoate Openeye Name: acetyl 4-[2,3-bis(2-chloroethylamino)phenyl]butaneperoxoate CAS Name: 4-[2,3-bis(2-chloroethylamino)phenyl]butaneperoxoic acid acetyl ester IUPAC Name: acetyl 4-[2,3-bis(2-chloroethylamino)phenyl]butaneperoxoate Traditional Name: 4-[2,3-bis(2-chloroethylamino)phenyl]peroxybutyric acid acetyl ester Formula: C16H22Cl2N2O4 MolecularWeight: 377.26288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(=O)CCCC1=C(C(=CC=C1)NCCCl)NCCCl

Isomeric SMILES

CC(=O)OOC(=O)CCCC1=C(C(=CC=C1)NCCCl)NCCCl

InChI

InChI=1S/C16H22Cl2N2O4/c1-12(21)23-24-15(22)7-3-5-13-4-2-6-14(19-10-8-17)16(13)20-11-9-18/h2,4,6,19-20H,3,5,7-11H2,1H3