2-[[5-[2-(methylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenoxy]diazenyl]benzoic acid

Systemtic Name: 2-[[5-[2-(methylamino)-1-oxidanyl-ethyl]-2-oxidanyl-phenoxy]diazenyl]benzoic acid Openeye Name: 2-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenoxy]azobenzoic acid CAS Name: 2-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenoxy]azobenzoic acid IUPAC Name: 2-[[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenoxy]diazenyl]benzoic acid Traditional Name: 2-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenoxy]azobenzoic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(C1=CC(=C(C=C1)O)ON=NC2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CNCC(C1=CC(=C(C=C1)O)ON=NC2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C16H17N3O5/c1-17-9-14(21)10-6-7-13(20)15(8-10)24-19-18-12-5-3-2-4-11(12)16(22)23/h2-8,14,17,20-21H,9H2,1H3,(H,22,23)