4-[2-[(2-chloranylpyridin-4-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(2-chloranylpyridin-4-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(2-chloropyridine-4-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(2-chloro-4-pyridinyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(2-chloropyridine-4-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(2-chloroisonicotinoyl)amino]phenoxy]phthalic acid Formula: C20H13ClN2O6 MolecularWeight: 412.78002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=NC=C2)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=NC=C2)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H13ClN2O6/c21-17-9-11(7-8-22-17)18(24)23-15-3-1-2-4-16(15)29-12-5-6-13(19(25)26)14(10-12)20(27)28/h1-10H,(H,23,24)(H,25,26)(H,27,28)