3-[2-[3,4,5-tris(oxidanyl)phenyl]ethanoylamino]benzoic acid

Systemtic Name: 3-[2-[3,4,5-tris(oxidanyl)phenyl]ethanoylamino]benzoic acid Openeye Name: 3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid CAS Name: 3-[[1-oxo-2-(3,4,5-trihydroxyphenyl)ethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid Traditional Name: 3-[[2-(3,4,5-trihydroxyphenyl)acetyl]amino]benzoic acid Formula: C15H13NO6 MolecularWeight: 303.26682

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2=CC(=C(C(=C2)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2=CC(=C(C(=C2)O)O)O)C(=O)O

InChI

InChI=1S/C15H13NO6/c17-11-4-8(5-12(18)14(11)20)6-13(19)16-10-3-1-2-9(7-10)15(21)22/h1-5,7,17-18,20H,6H2,(H,16,19)(H,21,22)