[4-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-4-oxidanylidene-butanimidoyl] 4-(2-iodanylethanoylamino)benzoate

Systemtic Name: [4-[4-(2-iodanylethanoylamino)phenyl]carbonyloxy-4-oxidanylidene-butanimidoyl] 4-(2-iodanylethanoylamino)benzoate Openeye Name: [4-[4-[(2-iodoacetyl)amino]benzoyl]oxy-4-oxo-butanimidoyl] 4-[(2-iodoacetyl)amino]benzoate CAS Name: 4-[(2-iodo-1-oxoethyl)amino]benzoic acid [1-imino-4-[[4-[(2-iodo-1-oxoethyl)amino]phenyl]-oxomethoxy]-4-oxobutyl] ester IUPAC Name: [4-[4-[(2-iodoacetyl)amino]benzoyl]oxy-4-oxobutanimidoyl] 4-[(2-iodoacetyl)amino]benzoate Traditional Name: 4-[(2-iodoacetyl)amino]benzoic acid [4-[4-[(2-iodoacetyl)amino]benzoyl]oxy-4-keto-butanimidoyl] ester Formula: C22H19I2N3O7 MolecularWeight: 691.2111

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CC=C(C=C2)NC(=O)CI)NC(=O)CI

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC(=N)CCC(=O)OC(=O)C2=CC=C(C=C2)NC(=O)CI)NC(=O)CI

InChI

InChI=1S/C22H19I2N3O7/c23-11-18(28)26-15-5-1-13(2-6-15)21(31)33-17(25)9-10-20(30)34-22(32)14-3-7-16(8-4-14)27-19(29)12-24/h1-8,25H,9-12H2,(H,26,28)(H,27,29)