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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-methoxy-3-nitro-benzamide Formula: C21H13BrIN3O5 MolecularWeight: 594.15349

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=CC(=C4)I)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H13BrIN3O5/c1-30-19-6-2-11(8-17(19)26(28)29)20(27)24-13-4-7-18-16(10-13)25-21(31-18)14-9-12(23)3-5-15(14)22/h2-10H,1H3,(H,24,27)