dimethyl 2-acetamido-2-[[5-(3-bromanylpropyl)-2-(methoxymethyl)-3-oxidanylidene-1,2-oxazol-4-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[[5-(3-bromanylpropyl)-2-(methoxymethyl)-3-oxidanylidene-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[5-(3-bromopropyl)-2-(methoxymethyl)-3-oxo-isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-(3-bromopropyl)-2-(methoxymethyl)-3-oxo-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[[5-(3-bromopropyl)-2-(methoxymethyl)-3-oxo-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[5-(3-bromopropyl)-3-keto-2-(methoxymethyl)-4-isoxazolin-4-yl]methyl]malonic acid dimethyl ester Formula: C16H23BrN2O8 MolecularWeight: 451.26642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(ON(C1=O)COC)CCCBr)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(ON(C1=O)COC)CCCBr)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H23BrN2O8/c1-10(20)18-16(14(22)25-3,15(23)26-4)8-11-12(6-5-7-17)27-19(9-24-2)13(11)21/h5-9H2,1-4H3,(H,18,20)