2-[[[4-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]phenyl]amino]oxymethyl]-4-oxidanyl-benzoic acid

Systemtic Name: 2-[[[4-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]phenyl]amino]oxymethyl]-4-oxidanyl-benzoic acid Openeye Name: 2-[[4-[(2-carboxy-5-hydroxy-benzoyl)amino]anilino]oxymethyl]-4-hydroxy-benzoic acid CAS Name: 2-[[4-[[(2-carboxy-5-hydroxyphenyl)-oxomethyl]amino]anilino]oxymethyl]-4-hydroxybenzoic acid IUPAC Name: 2-[[4-[(2-carboxy-5-hydroxybenzoyl)amino]anilino]oxymethyl]-4-hydroxybenzoic acid Traditional Name: 2-[[4-[(2-carboxy-5-hydroxy-benzoyl)amino]anilino]oxymethyl]-4-hydroxy-benzoic acid Formula: C22H18N2O8 MolecularWeight: 438.38692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)O)C(=O)O)NOCC3=C(C=CC(=C3)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)O)C(=O)O)NOCC3=C(C=CC(=C3)O)C(=O)O

InChI

InChI=1S/C22H18N2O8/c25-15-5-7-17(21(28)29)12(9-15)11-32-24-14-3-1-13(2-4-14)23-20(27)19-10-16(26)6-8-18(19)22(30)31/h1-10,24-26H,11H2,(H,23,27)(H,28,29)(H,30,31)