dimethyl 2-acetamido-2-[[5-(bromomethyl)-3-(phenylcarbonyloxy)-1,2-oxazol-4-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[[5-(bromomethyl)-3-(phenylcarbonyloxy)-1,2-oxazol-4-yl]methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[3-benzoyloxy-5-(bromomethyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-benzoyloxy-5-(bromomethyl)-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[[3-benzoyloxy-5-(bromomethyl)-1,2-oxazol-4-yl]methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-benzoyloxy-5-(bromomethyl)isoxazol-4-yl]methyl]malonic acid dimethyl ester Formula: C19H19BrN2O8 MolecularWeight: 483.26676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(ON=C1OC(=O)C2=CC=CC=C2)CBr)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(ON=C1OC(=O)C2=CC=CC=C2)CBr)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H19BrN2O8/c1-11(23)21-19(17(25)27-2,18(26)28-3)9-13-14(10-20)30-22-15(13)29-16(24)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,21,23)