[(2R,3S,4R)-4-azido-1-bromanyl-5-(4-methoxyphenyl)-2-oxidanyl-pentan-3-yl] ethanoate

Systemtic Name: [(2R,3S,4R)-4-azido-1-bromanyl-5-(4-methoxyphenyl)-2-oxidanyl-pentan-3-yl] ethanoate Openeye Name: [(1S,2R)-1-[(1R)-1-azido-2-(4-methoxyphenyl)ethyl]-3-bromo-2-hydroxy-propyl] acetate CAS Name: acetic acid [(2R,3S,4R)-4-azido-1-bromo-2-hydroxy-5-(4-methoxyphenyl)pentan-3-yl] ester IUPAC Name: [(2R,3S,4R)-4-azido-1-bromo-2-hydroxy-5-(4-methoxyphenyl)pentan-3-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-[(1R)-1-azido-2-(4-methoxyphenyl)ethyl]-3-bromo-2-hydroxy-propyl] ester Formula: C14H18BrN3O4 MolecularWeight: 372.21442

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(CC1=CC=C(C=C1)OC)N=[N+]=[N-])C(CBr)O

Isomeric SMILES

CC(=O)O[C@@H]([C@@H](CC1=CC=C(C=C1)OC)N=[N+]=[N-])[C@H](CBr)O

InChI

InChI=1S/C14H18BrN3O4/c1-9(19)22-14(13(20)8-15)12(17-18-16)7-10-3-5-11(21-2)6-4-10/h3-6,12-14,20H,7-8H2,1-2H3/t12-,13+,14+/m1/s1