2-bromanyl-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-bis(iodanyl)benzamide

Systemtic Name: 2-bromanyl-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-bis(iodanyl)benzamide Openeye Name: 2-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-diiodo-benzamide CAS Name: 2-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-diiodobenzamide IUPAC Name: 2-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-diiodobenzamide Traditional Name: 2-bromo-N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-3,5-diiodo-benzamide Formula: C22H15BrI2N2O2 MolecularWeight: 673.07964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC(=C4Br)I)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=CC(=C4Br)I)I)C

InChI

InChI=1S/C22H15BrI2N2O2/c1-11-3-4-13(7-12(11)2)22-27-18-10-15(5-6-19(18)29-22)26-21(28)16-8-14(24)9-17(25)20(16)23/h3-10H,1-2H3,(H,26,28)