tert-butyl (2Z)-2-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methylidene]-5-oxidanylidene-hexanoate

Systemtic Name: tert-butyl (2Z)-2-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methylidene]-5-oxidanylidene-hexanoate Openeye Name: tert-butyl (2Z)-2-[[3-(2-chlorophenyl)isoxazol-5-yl]methylene]-5-oxo-hexanoate CAS Name: (2Z)-2-[[3-(2-chlorophenyl)-5-isoxazolyl]methylidene]-5-oxohexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[[3-(2-chlorophenyl)-1,2-oxazol-5-yl]methylidene]-5-oxohexanoate Traditional Name: (Z)-3-[3-(2-chlorophenyl)isoxazol-5-yl]-2-(3-ketobutyl)acrylic acid tert-butyl ester Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=CC1=CC(=NO1)C2=CC=CC=C2Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)CC/C(=C/C1=CC(=NO1)C2=CC=CC=C2Cl)/C(=O)OC(C)(C)C

InChI

InChI=1S/C20H22ClNO4/c1-13(23)9-10-14(19(24)25-20(2,3)4)11-15-12-18(22-26-15)16-7-5-6-8-17(16)21/h5-8,11-12H,9-10H2,1-4H3/b14-11-