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

Systemtic Name: 3-(3-bromophenyl)-N-[3-nitro-5-(4-oxidanylphenoxy)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitrophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[3-(4-hydroxyphenoxy)-5-nitro-phenyl]-2-isoxazoline-5-carboxamide Formula: C22H16BrN3O6 MolecularWeight: 498.28294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)O)[N+](=O)[O-]

Isomeric SMILES

C1C(ON=C1C2=CC(=CC=C2)Br)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H16BrN3O6/c23-14-3-1-2-13(8-14)20-12-21(32-25-20)22(28)24-15-9-16(26(29)30)11-19(10-15)31-18-6-4-17(27)5-7-18/h1-11,21,27H,12H2,(H,24,28)