diethyl 2-[1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-3-oxidanylidene-butyl]propanedioate

Systemtic Name: diethyl 2-[1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-3-oxidanylidene-butyl]propanedioate Openeye Name: diethyl 2-[1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-3-oxo-butyl]propanedioate CAS Name: 2-[1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-3-oxobutyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)-3-oxobutyl]propanedioate Traditional Name: 2-[3-keto-1-(5-methyl-3-phenyl-1,4,2-dioxazol-5-yl)butyl]malonic acid diethyl ester Formula: C20H25NO7 MolecularWeight: 391.415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC(=O)C)C1(OC(=NO1)C2=CC=CC=C2)C)C(=O)OCC

InChI

InChI=1S/C20H25NO7/c1-5-25-18(23)16(19(24)26-6-2)15(12-13(3)22)20(4)27-17(21-28-20)14-10-8-7-9-11-14/h7-11,15-16H,5-6,12H2,1-4H3