4-[5-bromanyl-4-fluoranyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[5-bromanyl-4-fluoranyl-2-[(3-nitrophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[5-bromo-4-fluoro-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[5-bromo-4-fluoro-2-[[(3-nitrophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[5-bromo-4-fluoro-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[5-bromo-4-fluoro-2-[(3-nitrobenzoyl)amino]phenoxy]phthalic acid Formula: C21H12BrFN2O8 MolecularWeight: 519.230983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)Br)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2OC3=CC(=C(C=C3)C(=O)O)C(=O)O)Br)F

InChI

InChI=1S/C21H12BrFN2O8/c22-15-8-18(33-12-4-5-13(20(27)28)14(7-12)21(29)30)17(9-16(15)23)24-19(26)10-2-1-3-11(6-10)25(31)32/h1-9H,(H,24,26)(H,27,28)(H,29,30)