2-[3-[(2-carboxy-4-oxidanyl-phenyl)methylperoxy]propoxycarbonyl]-5-nitro-benzoic acid

Systemtic Name: 2-[3-[(2-carboxy-4-oxidanyl-phenyl)methylperoxy]propoxycarbonyl]-5-nitro-benzoic acid Openeye Name: 2-[3-[(2-carboxy-4-hydroxy-phenyl)methylperoxy]propoxycarbonyl]-5-nitro-benzoic acid CAS Name: 2-[3-[(2-carboxy-4-hydroxyphenyl)methyldioxy]propoxy-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-[3-[(2-carboxy-4-hydroxyphenyl)methylperoxy]propoxycarbonyl]-5-nitrobenzoic acid Traditional Name: 2-[3-(2-carboxy-4-hydroxy-benzyl)peroxypropoxycarbonyl]-5-nitro-benzoic acid Formula: C19H17NO11 MolecularWeight: 435.33838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)OCCCOOCC2=C(C=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C(=O)OCCCOOCC2=C(C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C19H17NO11/c21-13-4-2-11(15(9-13)17(22)23)10-31-30-7-1-6-29-19(26)14-5-3-12(20(27)28)8-16(14)18(24)25/h2-5,8-9,21H,1,6-7,10H2,(H,22,23)(H,24,25)