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4-[2-[(5-bromanylpyridin-3-yl)carbonylamino]phenoxy]phthalic acid

4-[2-[(5-bromanylpyridin-3-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name:4-[2-[(5-bromanylpyridin-3-yl)carbonylamino]phenoxy]phthalic acid
Openeye Name:4-[2-[(5-bromopyridine-3-carbonyl)amino]phenoxy]phthalic acid
CAS Name:4-[2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]phenoxy]phthalic acid
IUPAC Name:4-[2-[(5-bromopyridine-3-carbonyl)amino]phenoxy]phthalic acid
Traditional Name:4-[2-[(5-bromonicotinoyl)amino]phenoxy]phthalic acid
Formula: C20H13BrN2O6
MolecularWeight: 457.23102
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC(=CN=C2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC(=CN=C2)Br)OC3=CC(=C(C=C3)C(=O)O)C(=O)O


InChI

InChI=1S/C20H13BrN2O6/c21-12-7-11(9-22-10-12)18(24)23-16-3-1-2-4-17(16)29-13-5-6-14(19(25)26)15(8-13)20(27)28/h1-10H,(H,23,24)(H,25,26)(H,27,28)


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