5-[[3-(4-nitrophenoxy)carbonyl-4-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[3-(4-nitrophenoxy)carbonyl-4-oxidanyl-phenyl]methyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[4-hydroxy-3-(4-nitrophenoxy)carbonyl-phenyl]methyl]benzoic acid CAS Name: 2-hydroxy-5-[[4-hydroxy-3-[(4-nitrophenoxy)-oxomethyl]phenyl]methyl]benzoic acid IUPAC Name: 2-hydroxy-5-[[4-hydroxy-3-(4-nitrophenoxy)carbonylphenyl]methyl]benzoic acid Traditional Name: 2-hydroxy-5-[4-hydroxy-3-(4-nitrophenoxy)carbonyl-benzyl]benzoic acid Formula: C21H15NO8 MolecularWeight: 409.3457

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)CC3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C2=C(C=CC(=C2)CC3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C21H15NO8/c23-18-7-1-12(10-16(18)20(25)26)9-13-2-8-19(24)17(11-13)21(27)30-15-5-3-14(4-6-15)22(28)29/h1-8,10-11,23-24H,9H2,(H,25,26)