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

Systemtic Name: 3-(3-bromophenyl)-N-(4-ethoxy-2-nitro-phenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-bromophenyl)-N-(4-ethoxy-2-nitro-phenyl)-4,5-dihydroisoxazole-5-carboxamide CAS Name: 3-(3-bromophenyl)-N-(4-ethoxy-2-nitrophenyl)-4,5-dihydroisoxazole-5-carboxamide IUPAC Name: 3-(3-bromophenyl)-N-(4-ethoxy-2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-bromophenyl)-N-(4-ethoxy-2-nitro-phenyl)-2-isoxazoline-5-carboxamide Formula: C18H16BrN3O5 MolecularWeight: 434.24074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)C2CC(=NO2)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O5/c1-2-26-13-6-7-14(16(9-13)22(24)25)20-18(23)17-10-15(21-27-17)11-4-3-5-12(19)8-11/h3-9,17H,2,10H2,1H3,(H,20,23)