2-[2-chloranyl-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione

Systemtic Name: 2-[2-chloranyl-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonyl-phenyl]carbonylcyclohexane-1,3-dione Openeye Name: 2-[2-chloro-3-(5-ethyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-benzoyl]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-3-(5-ethyl-4,5-dihydroisoxazol-3-yl)-4-methylsulfonylphenyl]-oxomethyl]cyclohexane-1,3-dione IUPAC Name: 2-[2-chloro-3-(5-ethyl-4,5-dihydro-1,2-oxazol-3-yl)-4-methylsulfonylbenzoyl]cyclohexane-1,3-dione Traditional Name: 2-[2-chloro-3-(5-ethyl-2-isoxazolin-3-yl)-4-mesyl-benzoyl]cyclohexane-1,3-quinone Formula: C19H20ClNO6S MolecularWeight: 425.8832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

Isomeric SMILES

CCC1CC(=NO1)C2=C(C=CC(=C2Cl)C(=O)C3C(=O)CCCC3=O)S(=O)(=O)C

InChI

InChI=1S/C19H20ClNO6S/c1-3-10-9-12(21-27-10)16-15(28(2,25)26)8-7-11(18(16)20)19(24)17-13(22)5-4-6-14(17)23/h7-8,10,17H,3-6,9H2,1-2H3