[(2S)-2-oxidanyl-3-phenoxy-propyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-oxidanyl-3-phenoxy-propyl] 4-nitrobenzoate Openeye Name: [(2S)-2-hydroxy-3-phenoxy-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-hydroxy-3-phenoxypropyl] ester IUPAC Name: [(2S)-2-hydroxy-3-phenoxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-hydroxy-3-phenoxy-propyl] ester Formula: C16H15NO6 MolecularWeight: 317.2934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6/c18-14(10-22-15-4-2-1-3-5-15)11-23-16(19)12-6-8-13(9-7-12)17(20)21/h1-9,14,18H,10-11H2/t14-/m0/s1