4-[2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(2-chloro-6-fluoro-benzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(2-chloro-6-fluorobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(2-chloro-6-fluoro-benzoyl)amino]phenoxy]phthalic acid Formula: C21H13ClFNO6 MolecularWeight: 429.782423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC=C2Cl)F)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=CC=C2Cl)F)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13ClFNO6/c22-14-4-3-5-15(23)18(14)19(25)24-16-6-1-2-7-17(16)30-11-8-9-12(20(26)27)13(10-11)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)