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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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