3-(4-fluorophenyl)-N-[3-nitro-5-(4-oxidanylphenoxy)phenyl]-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[3-nitro-5-(4-oxidanylphenoxy)phenyl]-1,2-oxazole-5-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]isoxazole-5-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-5-isoxazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-1,2-oxazole-5-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]isoxazole-5-carboxamide Formula: C22H14FN3O6 MolecularWeight: 435.361463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NOC(=C2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)O)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C2=NOC(=C2)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)O)[N+](=O)[O-])F

InChI

InChI=1S/C22H14FN3O6/c23-14-3-1-13(2-4-14)20-12-21(32-25-20)22(28)24-15-9-16(26(29)30)11-19(10-15)31-18-7-5-17(27)6-8-18/h1-12,27H,(H,24,28)