[(2R)-3-methyl-2,3-bis(oxidanyl)butyl] 4-nitrobenzoate

Systemtic Name: [(2R)-3-methyl-2,3-bis(oxidanyl)butyl] 4-nitrobenzoate Openeye Name: [(2R)-2,3-dihydroxy-3-methyl-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R)-2,3-dihydroxy-3-methylbutyl] ester IUPAC Name: [(2R)-2,3-dihydroxy-3-methylbutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2R)-2,3-dihydroxy-3-methyl-butyl] ester Formula: C12H15NO6 MolecularWeight: 269.2506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6/c1-12(2,16)10(14)7-19-11(15)8-3-5-9(6-4-8)13(17)18/h3-6,10,14,16H,7H2,1-2H3/t10-/m1/s1