[(2S)-2-acetyloxy-3-bromanyl-propyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-acetyloxy-3-bromanyl-propyl] 4-nitrobenzoate Openeye Name: [(2S)-2-acetoxy-3-bromo-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-acetyloxy-3-bromopropyl] ester IUPAC Name: [(2S)-2-acetyloxy-3-bromopropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-acetoxy-3-bromo-propyl] ester Formula: C12H12BrNO6 MolecularWeight: 346.13078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO6/c1-8(15)20-11(6-13)7-19-12(16)9-2-4-10(5-3-9)14(17)18/h2-5,11H,6-7H2,1H3/t11-/m1/s1