N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-chloranyl-5-iodanyl-benzamide

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-chloranyl-5-iodanyl-benzamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-chloro-5-iodo-benzamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-chloro-5-iodobenzamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-chloro-5-iodo-benzamide Formula: C21H14ClIN2O2 MolecularWeight: 488.70553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)I)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=C(C=CC(=C2)I)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H14ClIN2O2/c1-12-14(21-25-18-6-2-3-8-19(18)27-21)5-4-7-17(12)24-20(26)15-11-13(23)9-10-16(15)22/h2-11H,1H3,(H,24,26)