1,3-bis(oxidanyl)propan-2-yl 4-nitrobenzoate

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl 4-nitrobenzoate Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C10H11NO6 MolecularWeight: 241.19744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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