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

Systemtic Name: [(5S)-3-pyridin-2-yl-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromanylbenzoate Openeye Name: [(5S)-3-(2-pyridyl)-2,5-dihydroisoxazol-5-yl]methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5S)-3-(2-pyridinyl)-2,5-dihydroisoxazol-5-yl]methyl ester IUPAC Name: [(5S)-3-pyridin-2-yl-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5S)-3-(2-pyridyl)-3-isoxazolin-5-yl]methyl ester Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3/c17-12-6-4-11(5-7-12)16(20)21-10-13-9-15(19-22-13)14-3-1-2-8-18-14/h1-9,13,19H,10H2/t13-/m0/s1