tert-butyl 3-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethanoyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate

Systemtic Name: tert-butyl 3-[4-[2-(4-bromophenyl)-2-oxidanylidene-ethanoyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Openeye Name: tert-butyl 3-[4-[2-(4-bromophenyl)-2-oxo-acetyl]phenyl]-4,5-dihydroisoxazole-5-carboxylate CAS Name: 3-[4-[2-(4-bromophenyl)-1,2-dioxoethyl]phenyl]-4,5-dihydroisoxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(4-bromophenyl)-2-oxoacetyl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate Traditional Name: 3-[4-[2-(4-bromophenyl)-2-keto-acetyl]phenyl]-2-isoxazoline-5-carboxylic acid tert-butyl ester Formula: C22H20BrNO5 MolecularWeight: 458.3019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)OC(=O)C1CC(=NO1)C2=CC=C(C=C2)C(=O)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrNO5/c1-22(2,3)28-21(27)18-12-17(24-29-18)13-4-6-14(7-5-13)19(25)20(26)15-8-10-16(23)11-9-15/h4-11,18H,12H2,1-3H3