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

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

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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=CC(=C(C=C4)OC)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3O6/c1-30-18-6-4-13(9-15(18)23)22-25-16-11-14(5-8-19(16)32-22)24-21(27)12-3-7-20(31-2)17(10-12)26(28)29/h3-11H,1-2H3,(H,24,27)