(5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: (5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: (5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: (5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydroisoxazole-5-carboxylate IUPAC Name: (5S)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: (5S)-3-mesityl-2-isoxazoline-5-carboxylate Formula: C13H14NO3- MolecularWeight: 232.25516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C2=NOC(C2)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=NO[C@@H](C2)C(=O)[O-])C

InChI

InChI=1S/C13H15NO3/c1-7-4-8(2)12(9(3)5-7)10-6-11(13(15)16)17-14-10/h4-5,11H,6H2,1-3H3,(H,15,16)/p-1/t11-/m0/s1