(1-acetyloxy-2-methyl-propan-2-yl) 5-nitro-2-oxidanyl-benzoate

Systemtic Name: (1-acetyloxy-2-methyl-propan-2-yl) 5-nitro-2-oxidanyl-benzoate Openeye Name: (2-acetoxy-1,1-dimethyl-ethyl) 2-hydroxy-5-nitro-benzoate CAS Name: 2-hydroxy-5-nitrobenzoic acid (1-acetyloxy-2-methylpropan-2-yl) ester IUPAC Name: (1-acetyloxy-2-methylpropan-2-yl) 2-hydroxy-5-nitrobenzoate Traditional Name: 2-hydroxy-5-nitro-benzoic acid (2-acetoxy-1,1-dimethyl-ethyl) ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO7/c1-8(15)20-7-13(2,3)21-12(17)10-6-9(14(18)19)4-5-11(10)16/h4-6,16H,7H2,1-3H3