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

Systemtic Name: 3-(3-bromophenyl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-[3-(2-methylphenoxy)-5-nitrophenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-[3-(2-methylphenoxy)-5-nitro-phenyl]-2-isoxazoline-5-carboxamide Formula: C23H18BrN3O5 MolecularWeight: 496.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=CC=C1OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3CC(=NO3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H18BrN3O5/c1-14-5-2-3-8-21(14)31-19-11-17(10-18(12-19)27(29)30)25-23(28)22-13-20(26-32-22)15-6-4-7-16(24)9-15/h2-12,22H,13H2,1H3,(H,25,28)