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

Systemtic Name: [(2S)-2,3-bis(oxidanyl)propyl] 4-nitrobenzoate Openeye Name: [(2S)-2,3-dihydroxypropyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2,3-dihydroxypropyl] ester IUPAC Name: [(2S)-2,3-dihydroxypropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2,3-dihydroxypropyl] ester Formula: C10H11NO6 MolecularWeight: 241.19744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO6/c12-5-9(13)6-17-10(14)7-1-3-8(4-2-7)11(15)16/h1-4,9,12-13H,5-6H2/t9-/m0/s1