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

Systemtic Name: 2-[[2-[(2-carboxy-5-oxidanyl-phenyl)carbonylamino]ethylamino]oxymethyl]-4-oxidanyl-benzoic acid Openeye Name: 2-[[2-[(2-carboxy-5-hydroxy-benzoyl)amino]ethylamino]oxymethyl]-4-hydroxy-benzoic acid CAS Name: 2-[[2-[[(2-carboxy-5-hydroxyphenyl)-oxomethyl]amino]ethylamino]oxymethyl]-4-hydroxybenzoic acid IUPAC Name: 2-[[2-[(2-carboxy-5-hydroxybenzoyl)amino]ethylamino]oxymethyl]-4-hydroxybenzoic acid Traditional Name: 2-[[2-[(2-carboxy-5-hydroxy-benzoyl)amino]ethylamino]oxymethyl]-4-hydroxy-benzoic acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CONCCNC(=O)C2=C(C=CC(=C2)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1O)CONCCNC(=O)C2=C(C=CC(=C2)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H18N2O8/c21-11-1-3-13(17(24)25)10(7-11)9-28-20-6-5-19-16(23)15-8-12(22)2-4-14(15)18(26)27/h1-4,7-8,20-22H,5-6,9H2,(H,19,23)(H,24,25)(H,26,27)