2-[1-(2-carboxy-3-nitro-phenyl)carbonyloxypropylperoxymethyl]-6-nitro-benzoic acid

Systemtic Name: 2-[1-(2-carboxy-3-nitro-phenyl)carbonyloxypropylperoxymethyl]-6-nitro-benzoic acid Openeye Name: 2-[1-(2-carboxy-3-nitro-benzoyl)oxypropylperoxymethyl]-6-nitro-benzoic acid CAS Name: 2-[1-[(2-carboxy-3-nitrophenyl)-oxomethoxy]propyldioxymethyl]-6-nitrobenzoic acid IUPAC Name: 2-[1-(2-carboxy-3-nitrobenzoyl)oxypropylperoxymethyl]-6-nitrobenzoic acid Traditional Name: 2-[1-(2-carboxy-3-nitro-benzoyl)oxypropylperoxymethyl]-6-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/c1-2-14(32-19(26)11-6-4-8-13(21(29)30)16(11)18(24)25)33-31-9-10-5-3-7-12(20(27)28)15(10)17(22)23/h3-8,14H,2,9H2,1H3,(H,22,23)(H,24,25)