(2-iodanylphenyl) 4-[(4-carbamimidoylphenyl)carbonylamino]butaneperoxoate

Systemtic Name: (2-iodanylphenyl) 4-[(4-carbamimidoylphenyl)carbonylamino]butaneperoxoate Openeye Name: (2-iodophenyl) 4-[(4-carbamimidoylbenzoyl)amino]butaneperoxoate CAS Name: 4-[[(4-carbamimidoylphenyl)-oxomethyl]amino]butaneperoxoic acid (2-iodophenyl) ester IUPAC Name: (2-iodophenyl) 4-[(4-carbamimidoylbenzoyl)amino]butaneperoxoate Traditional Name: 4-[(4-amidinobenzoyl)amino]peroxybutyric acid (2-iodophenyl) ester Formula: C18H18IN3O4 MolecularWeight: 467.25769

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OOC(=O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)I

Isomeric SMILES

C1=CC=C(C(=C1)OOC(=O)CCCNC(=O)C2=CC=C(C=C2)C(=N)N)I

InChI

InChI=1S/C18H18IN3O4/c19-14-4-1-2-5-15(14)25-26-16(23)6-3-11-22-18(24)13-9-7-12(8-10-13)17(20)21/h1-2,4-5,7-10H,3,6,11H2,(H3,20,21)(H,22,24)