5-bromanyl-2-[[2-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]pyridin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[2-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]pyridin-4-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-[(4-bromo-2-carboxy-phenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[2-[(4-bromo-2-carboxyanilino)-oxomethyl]-4-pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-[(4-bromo-2-carboxyphenyl)carbamoyl]pyridine-4-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-[(4-bromo-2-carboxy-phenyl)carbamoyl]isonicotinoyl]amino]benzoic acid Formula: C21H13Br2N3O6 MolecularWeight: 563.15242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)C2=CC(=NC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)O)NC(=O)C2=CC(=NC=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C21H13Br2N3O6/c22-11-1-3-15(13(8-11)20(29)30)25-18(27)10-5-6-24-17(7-10)19(28)26-16-4-2-12(23)9-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)