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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-nitro-benzamide Formula: C20H11BrIN3O4 MolecularWeight: 564.12751

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H11BrIN3O4/c21-16-7-3-12(22)9-15(16)20-24-17-10-13(4-8-18(17)29-20)23-19(26)11-1-5-14(6-2-11)25(27)28/h1-10H,(H,23,26)