5-[(3-carboxy-4-oxidanyl-phenyl)-(3-nitrophenyl)methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[(3-carboxy-4-oxidanyl-phenyl)-(3-nitrophenyl)methyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-nitrophenyl)methyl]-2-hydroxy-benzoic acid CAS Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-nitrophenyl)methyl]-2-hydroxybenzoic acid IUPAC Name: 5-[(3-carboxy-4-hydroxyphenyl)-(3-nitrophenyl)methyl]-2-hydroxybenzoic acid Traditional Name: 5-[(3-carboxy-4-hydroxy-phenyl)-(3-nitrophenyl)methyl]-2-hydroxy-benzoic acid Formula: C21H15NO8 MolecularWeight: 409.3457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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