ethyl (4R,5R)-4-(3-nitrophenyl)-2-oxidanyl-5-(phenylcarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl (4R,5R)-4-(3-nitrophenyl)-2-oxidanyl-5-(phenylcarbonyl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl (4R,5R)-5-benzoyl-2-hydroxy-4-(3-nitrophenyl)-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: (4R,5R)-5-benzoyl-2-hydroxy-4-(3-nitrophenyl)-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5R)-5-benzoyl-2-hydroxy-4-(3-nitrophenyl)-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: (4R,5R)-5-benzoyl-2-hydroxy-4-(3-nitrophenyl)-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C19H17N2O7+ MolecularWeight: 385.34748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)O

Isomeric SMILES

CCOC(=O)C1=[N+](O[C@H]([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C19H17N2O7/c1-2-27-19(23)16-15(13-9-6-10-14(11-13)20(24)25)18(28-21(16)26)17(22)12-7-4-3-5-8-12/h3-11,15,18,26H,2H2,1H3/q+1/t15-,18-/m1/s1