4-[3-fluoranyl-2-[(4-nitropyridin-2-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[3-fluoranyl-2-[(4-nitropyridin-2-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[3-fluoro-2-[(4-nitropyridine-2-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[3-fluoro-2-[[(4-nitro-2-pyridinyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[3-fluoro-2-[(4-nitropyridine-2-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[3-fluoro-2-[(4-nitropicolinoyl)amino]phenoxy]phthalic acid Formula: C20H12FN3O8 MolecularWeight: 441.322983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)F)NC(=O)C2=NC=CC(=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)F)NC(=O)C2=NC=CC(=C2)[N+](=O)[O-])OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C20H12FN3O8/c21-14-2-1-3-16(32-11-4-5-12(19(26)27)13(9-11)20(28)29)17(14)23-18(25)15-8-10(24(30)31)6-7-22-15/h1-9H,(H,23,25)(H,26,27)(H,28,29)