(5-phenyl-1,2-oxazol-3-yl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(4-bromophenyl)-4-oxidanylidene-butanoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 4-(4-bromophenyl)-4-oxo-butanoate CAS Name: 4-(4-bromophenyl)-4-oxobutanoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-(4-bromophenyl)-4-oxobutanoate Traditional Name: 4-(4-bromophenyl)-4-keto-butyric acid (5-phenylisoxazol-3-yl)methyl ester Formula: C20H16BrNO4 MolecularWeight: 414.24934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)COC(=O)CCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrNO4/c21-16-8-6-14(7-9-16)18(23)10-11-20(24)25-13-17-12-19(26-22-17)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2