(3,3-dimethyl-2-oxidanylidene-butyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H18ClNO4 MolecularWeight: 335.78212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C17H18ClNO4/c1-10-14(16(21)22-9-13(20)17(2,3)4)15(19-23-10)11-7-5-6-8-12(11)18/h5-8H,9H2,1-4H3