2-[1-(2-carboxy-5-nitro-phenyl)carbonyloxypropylperoxymethyl]-4-nitro-benzoic acid

Systemtic Name: 2-[1-(2-carboxy-5-nitro-phenyl)carbonyloxypropylperoxymethyl]-4-nitro-benzoic acid Openeye Name: 2-[1-(2-carboxy-5-nitro-benzoyl)oxypropylperoxymethyl]-4-nitro-benzoic acid CAS Name: 2-[1-[(2-carboxy-5-nitrophenyl)-oxomethoxy]propyldioxymethyl]-4-nitrobenzoic acid IUPAC Name: 2-[1-(2-carboxy-5-nitrobenzoyl)oxypropylperoxymethyl]-4-nitrobenzoic acid Traditional Name: 2-[1-(2-carboxy-5-nitro-benzoyl)oxypropylperoxymethyl]-4-nitro-benzoic acid Formula: C19H16N2O12 MolecularWeight: 464.33654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

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