5-[[4-[(3-carboxy-4-oxidanyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[(3-carboxy-4-oxidanyl-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[(3-carboxy-4-hydroxy-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(3-carboxy-4-hydroxyphenyl)iminomethyl]-2-methoxyphenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[(3-carboxy-4-hydroxyphenyl)iminomethyl]-2-methoxyphenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[(3-carboxy-4-hydroxy-phenyl)iminomethyl]-2-methoxy-phenoxy]methyl]-2-furoic acid Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)O)C(=O)O)OCC3=CC=C(O3)C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)O)C(=O)O)OCC3=CC=C(O3)C(=O)O

InChI

InChI=1S/C21H17NO8/c1-28-19-8-12(10-22-13-3-5-16(23)15(9-13)20(24)25)2-6-17(19)29-11-14-4-7-18(30-14)21(26)27/h2-10,23H,11H2,1H3,(H,24,25)(H,26,27)