2-[1-[(2-carboxy-5-oxidanyl-phenyl)methylperoxy]propoxycarbonyl]-4-nitro-benzoic acid

Systemtic Name: 2-[1-[(2-carboxy-5-oxidanyl-phenyl)methylperoxy]propoxycarbonyl]-4-nitro-benzoic acid Openeye Name: 2-[1-[(2-carboxy-5-hydroxy-phenyl)methylperoxy]propoxycarbonyl]-4-nitro-benzoic acid CAS Name: 2-[1-[(2-carboxy-5-hydroxyphenyl)methyldioxy]propoxy-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[1-[(2-carboxy-5-hydroxyphenyl)methylperoxy]propoxycarbonyl]-4-nitrobenzoic acid Traditional Name: 2-[1-(2-carboxy-5-hydroxy-benzyl)peroxypropoxycarbonyl]-4-nitro-benzoic acid Formula: C19H17NO11 MolecularWeight: 435.33838

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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)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)O)C(=O)O

InChI

InChI=1S/C19H17NO11/c1-2-16(31-29-9-10-7-12(21)4-6-13(10)17(22)23)30-19(26)15-8-11(20(27)28)3-5-14(15)18(24)25/h3-8,16,21H,2,9H2,1H3,(H,22,23)(H,24,25)