3-[[4-[(5-carboxy-2-oxidanyl-phenyl)carbamoyl]phenyl]carbonylamino]-4-oxidanyl-benzoic acid

Systemtic Name: 3-[[4-[(5-carboxy-2-oxidanyl-phenyl)carbamoyl]phenyl]carbonylamino]-4-oxidanyl-benzoic acid Openeye Name: 3-[[4-[(5-carboxy-2-hydroxy-phenyl)carbamoyl]benzoyl]amino]-4-hydroxy-benzoic acid CAS Name: 3-[[[4-[(5-carboxy-2-hydroxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]-4-hydroxybenzoic acid IUPAC Name: 3-[[4-[(5-carboxy-2-hydroxyphenyl)carbamoyl]benzoyl]amino]-4-hydroxybenzoic acid Traditional Name: 3-[[4-[(5-carboxy-2-hydroxy-phenyl)carbamoyl]benzoyl]amino]-4-hydroxy-benzoic acid Formula: C22H16N2O8 MolecularWeight: 436.37104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)O)C(=O)NC3=C(C=CC(=C3)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)C(=O)O)O)C(=O)NC3=C(C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C22H16N2O8/c25-17-7-5-13(21(29)30)9-15(17)23-19(27)11-1-2-12(4-3-11)20(28)24-16-10-14(22(31)32)6-8-18(16)26/h1-10,25-26H,(H,23,27)(H,24,28)(H,29,30)(H,31,32)