N-[4-chloranyl-3-(2,5-dimethylphenyl)carbonyl-phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide

Systemtic Name: N-[4-chloranyl-3-(2,5-dimethylphenyl)carbonyl-phenyl]-3,5-bis(iodanyl)-2-oxidanyl-benzamide Openeye Name: N-[4-chloro-3-(2,5-dimethylbenzoyl)phenyl]-2-hydroxy-3,5-diiodo-benzamide CAS Name: N-[4-chloro-3-[(2,5-dimethylphenyl)-oxomethyl]phenyl]-2-hydroxy-3,5-diiodobenzamide IUPAC Name: N-[4-chloro-3-(2,5-dimethylbenzoyl)phenyl]-2-hydroxy-3,5-diiodobenzamide Traditional Name: N-[4-chloro-3-(2,5-dimethylbenzoyl)phenyl]-2-hydroxy-3,5-diiodo-benzamide Formula: C22H16ClI2NO3 MolecularWeight: 631.62928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3O)I)I)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C2=C(C=CC(=C2)NC(=O)C3=CC(=CC(=C3O)I)I)Cl

InChI

InChI=1S/C22H16ClI2NO3/c1-11-3-4-12(2)15(7-11)20(27)16-10-14(5-6-18(16)23)26-22(29)17-8-13(24)9-19(25)21(17)28/h3-10,28H,1-2H3,(H,26,29)