[(2S)-2-azido-2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl] 4-bromanylbenzoate

Systemtic Name: [(2S)-2-azido-2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl] 4-bromanylbenzoate Openeye Name: [(2S)-2-azido-2-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]ethyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(2S)-2-azido-2-[(4S)-2-phenyl-4,5-dihydrooxazol-4-yl]ethyl] ester IUPAC Name: [(2S)-2-azido-2-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]ethyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(2S)-2-azido-2-[(4S)-2-phenyl-2-oxazolin-4-yl]ethyl] ester Formula: C18H15BrN4O3 MolecularWeight: 415.2407

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(O1)C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)Br)N=[N+]=[N-]

Isomeric SMILES

C1[C@@H](N=C(O1)C2=CC=CC=C2)[C@@H](COC(=O)C3=CC=C(C=C3)Br)N=[N+]=[N-]

InChI

InChI=1S/C18H15BrN4O3/c19-14-8-6-13(7-9-14)18(24)26-11-16(22-23-20)15-10-25-17(21-15)12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1