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

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-2-morpholino-5-nitro-benzamide Formula: C25H21BrN4O6 MolecularWeight: 553.36144

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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)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5)Br

InChI

InChI=1S/C25H21BrN4O6/c1-34-22-6-2-15(12-19(22)26)25-28-20-13-16(3-7-23(20)36-25)27-24(31)18-14-17(30(32)33)4-5-21(18)29-8-10-35-11-9-29/h2-7,12-14H,8-11H2,1H3,(H,27,31)