[(1S)-2-bromanyl-1-(3-nitro-4-phenylmethoxy-phenyl)ethyl] ethanoate

Systemtic Name: [(1S)-2-bromanyl-1-(3-nitro-4-phenylmethoxy-phenyl)ethyl] ethanoate Openeye Name: [(1S)-1-(4-benzyloxy-3-nitro-phenyl)-2-bromo-ethyl] acetate CAS Name: acetic acid [(1S)-2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethyl] ester IUPAC Name: [(1S)-2-bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethyl] acetate Traditional Name: acetic acid [(1S)-1-(4-benzoxy-3-nitro-phenyl)-2-bromo-ethyl] ester Formula: C17H16BrNO5 MolecularWeight: 394.21664

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CBr)C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@H](CBr)C1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrNO5/c1-12(20)24-17(10-18)14-7-8-16(15(9-14)19(21)22)23-11-13-5-3-2-4-6-13/h2-9,17H,10-11H2,1H3/t17-/m1/s1