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

Systemtic Name: N-[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C22H15BrIN3O5 MolecularWeight: 608.18007

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C22H15BrIN3O5/c1-2-31-20-7-3-12(9-18(20)27(29)30)21(28)25-14-5-8-19-17(11-14)26-22(32-19)15-10-13(24)4-6-16(15)23/h3-11H,2H2,1H3,(H,25,28)