(phenylmethyl) (4S)-2-(4-fluoranyl-2-nitro-phenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Systemtic Name: (phenylmethyl) (4S)-2-(4-fluoranyl-2-nitro-phenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Openeye Name: benzyl (4S)-2-(4-fluoro-2-nitro-phenyl)-4,5-dihydrooxazole-4-carboxylate CAS Name: (4S)-2-(4-fluoro-2-nitrophenyl)-4,5-dihydrooxazole-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-2-(4-fluoro-2-nitrophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate Traditional Name: (4S)-2-(4-fluoro-2-nitro-phenyl)-2-oxazoline-4-carboxylic acid benzyl ester Formula: C17H13FN2O5 MolecularWeight: 344.293923

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1[C@H](N=C(O1)C2=C(C=C(C=C2)F)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H13FN2O5/c18-12-6-7-13(15(8-12)20(22)23)16-19-14(10-24-16)17(21)25-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2/t14-/m0/s1