(2-chloranyl-3-oxidanylidene-cyclohexen-1-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: (2-chloranyl-3-oxidanylidene-cyclohexen-1-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: (2-chloro-3-oxo-cyclohexen-1-yl) 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid (2-chloro-3-oxo-1-cyclohexenyl) ester IUPAC Name: (2-chloro-3-oxocyclohexen-1-yl) 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid (2-chloro-3-keto-cyclohexen-1-yl) ester Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C(C(=O)CCC3)Cl

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=C(C(=O)CCC3)Cl

InChI

InChI=1S/C17H14ClNO4/c1-10-14(16(19-23-10)11-6-3-2-4-7-11)17(21)22-13-9-5-8-12(20)15(13)18/h2-4,6-7H,5,8-9H2,1H3