1-[(4S,5S)-5-ethanoyl-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]ethanone

Systemtic Name: 1-[(4S,5S)-5-ethanoyl-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]ethanone Openeye Name: 1-[(4S,5S)-5-acetyl-3-(4-nitrophenyl)-4,5-dihydroisoxazol-4-yl]ethanone CAS Name: 1-[(4S,5S)-5-acetyl-3-(4-nitrophenyl)-4,5-dihydroisoxazol-4-yl]ethanone IUPAC Name: 1-[(4S,5S)-5-acetyl-3-(4-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]ethanone Traditional Name: 1-[(4S,5S)-5-acetyl-3-(4-nitrophenyl)-2-isoxazolin-4-yl]ethanone Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

Isomeric SMILES

CC(=O)[C@@H]1[C@H](ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C

InChI

InChI=1S/C13H12N2O5/c1-7(16)11-12(14-20-13(11)8(2)17)9-3-5-10(6-4-9)15(18)19/h3-6,11,13H,1-2H3/t11-,13+/m0/s1