[(5S)-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate

Systemtic Name: [(5S)-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate Openeye Name: [(5S)-3-(2-chlorophenyl)-2,5-dihydroisoxazol-5-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5S)-3-(2-chlorophenyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5S)-3-(2-chlorophenyl)-3-isoxazolin-5-yl]methyl ester Formula: C17H13BrClNO3 MolecularWeight: 394.64702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(ON2)COC(=O)C3=CC=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=C[C@H](ON2)COC(=O)C3=CC=C(C=C3)Br)Cl

InChI

InChI=1S/C17H13BrClNO3/c18-12-7-5-11(6-8-12)17(21)22-10-13-9-16(20-23-13)14-3-1-2-4-15(14)19/h1-9,13,20H,10H2/t13-/m0/s1