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

Systemtic Name: (5S)-3-(2,4-dimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: (5S)-3-(2,4-dimethylphenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: (5S)-3-(2,4-dimethylphenyl)-4,5-dihydroisoxazole-5-carboxylate IUPAC Name: (5S)-3-(2,4-dimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: (5S)-3-(2,4-dimethylphenyl)-2-isoxazoline-5-carboxylate Formula: C12H12NO3- MolecularWeight: 218.22858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-7-3-4-9(8(2)5-7)10-6-11(12(14)15)16-13-10/h3-5,11H,6H2,1-2H3,(H,14,15)/p-1/t11-/m0/s1