N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-(4-nitrophenoxy)acetamide Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)COC4=CC=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C22H16BrN3O6/c1-30-19-8-2-13(10-17(19)23)22-25-18-11-14(3-9-20(18)32-22)24-21(27)12-31-16-6-4-15(5-7-16)26(28)29/h2-11H,12H2,1H3,(H,24,27)