2-[2-(2-carboxy-3-nitro-phenyl)carbonyloxypropan-2-ylperoxymethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[2-(2-carboxy-3-nitro-phenyl)carbonyloxypropan-2-ylperoxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[[1-(2-carboxy-3-nitro-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-6-nitro-benzoic acid CAS Name: 2-[2-[(2-carboxy-3-nitrophenyl)-oxomethoxy]propan-2-yldioxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[2-(2-carboxy-3-nitrobenzoyl)oxypropan-2-ylperoxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[[1-(2-carboxy-3-nitro-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-6-nitro-benzoic acid Formula: C19H16N2O12 MolecularWeight: 464.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(OC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O)OOCC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(OC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O)OOCC2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H16N2O12/c1-19(2,32-18(26)11-6-4-8-13(21(29)30)15(11)17(24)25)33-31-9-10-5-3-7-12(20(27)28)14(10)16(22)23/h3-8H,9H2,1-2H3,(H,22,23)(H,24,25)