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

Systemtic Name: 2-[[3-[(2-carboxy-4-oxidanyl-phenyl)carbamoyl]phenyl]carbonylamino]-5-oxidanyl-benzoic acid Openeye Name: 2-[[3-[(2-carboxy-4-hydroxy-phenyl)carbamoyl]benzoyl]amino]-5-hydroxy-benzoic acid CAS Name: 2-[[[3-[(2-carboxy-4-hydroxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]-5-hydroxybenzoic acid IUPAC Name: 2-[[3-[(2-carboxy-4-hydroxyphenyl)carbamoyl]benzoyl]amino]-5-hydroxybenzoic acid Traditional Name: 2-[[3-[(2-carboxy-4-hydroxy-phenyl)carbamoyl]benzoyl]amino]-5-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=C(C=C(C=C2)O)C(=O)O)C(=O)NC3=C(C=C(C=C3)O)C(=O)O

Isomeric SMILES

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

InChI

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