(5S)-3-(2-chloranyl-3,4,5-trimethoxy-phenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: (5S)-3-(2-chloranyl-3,4,5-trimethoxy-phenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: (5S)-3-(2-chloro-3,4,5-trimethoxy-phenyl)-4,5-dihydroisoxazole-5-carboxylate CAS Name: (5S)-3-(2-chloro-3,4,5-trimethoxyphenyl)-4,5-dihydroisoxazole-5-carboxylate IUPAC Name: (5S)-3-(2-chloro-3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: (5S)-3-(2-chloro-3,4,5-trimethoxy-phenyl)-2-isoxazoline-5-carboxylate Formula: C13H13ClNO6- MolecularWeight: 314.69842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C2=NOC(C2)C(=O)[O-])Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C2=NO[C@@H](C2)C(=O)[O-])Cl)OC)OC

InChI

InChI=1S/C13H14ClNO6/c1-18-8-4-6(7-5-9(13(16)17)21-15-7)10(14)12(20-3)11(8)19-2/h4,9H,5H2,1-3H3,(H,16,17)/p-1/t9-/m0/s1