(2S)-2-[4-[(2-bromanyl-4-nitro-phenoxy)methyl]-1,2,3-triazol-1-yl]-2-phenyl-ethanol

Systemtic Name: (2S)-2-[4-[(2-bromanyl-4-nitro-phenoxy)methyl]-1,2,3-triazol-1-yl]-2-phenyl-ethanol Openeye Name: (2S)-2-[4-[(2-bromo-4-nitro-phenoxy)methyl]triazol-1-yl]-2-phenyl-ethanol CAS Name: (2S)-2-[4-[(2-bromo-4-nitrophenoxy)methyl]-1-triazolyl]-2-phenylethanol IUPAC Name: (2S)-2-[4-[(2-bromo-4-nitrophenoxy)methyl]triazol-1-yl]-2-phenylethanol Traditional Name: (2S)-2-[4-[(2-bromo-4-nitro-phenoxy)methyl]triazol-1-yl]-2-phenyl-ethanol Formula: C17H15BrN4O4 MolecularWeight: 419.2294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)N2C=C(N=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CO)N2C=C(N=N2)COC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN4O4/c18-15-8-14(22(24)25)6-7-17(15)26-11-13-9-21(20-19-13)16(10-23)12-4-2-1-3-5-12/h1-9,16,23H,10-11H2/t16-/m1/s1