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

Systemtic Name: 2-[2-(2-carboxy-6-nitro-phenyl)carbonyloxypropan-2-ylperoxymethyl]-3-nitro-benzoic acid Openeye Name: 2-[[1-(2-carboxy-6-nitro-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-3-nitro-benzoic acid CAS Name: 2-[2-[(2-carboxy-6-nitrophenyl)-oxomethoxy]propan-2-yldioxymethyl]-3-nitrobenzoic acid IUPAC Name: 2-[2-(2-carboxy-6-nitrobenzoyl)oxypropan-2-ylperoxymethyl]-3-nitrobenzoic acid Traditional Name: 2-[[1-(2-carboxy-6-nitro-benzoyl)oxy-1-methyl-ethyl]peroxymethyl]-3-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)15-11(17(24)25)6-4-8-14(15)21(29)30)33-31-9-12-10(16(22)23)5-3-7-13(12)20(27)28/h3-8H,9H2,1-2H3,(H,22,23)(H,24,25)