5-bromanyl-2-[[5-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]pyridin-3-yl]carbonylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[[5-[(4-bromanyl-2-carboxy-phenyl)carbamoyl]pyridin-3-yl]carbonylamino]benzoic acid Openeye Name: 5-bromo-2-[[5-[(4-bromo-2-carboxy-phenyl)carbamoyl]pyridine-3-carbonyl]amino]benzoic acid CAS Name: 5-bromo-2-[[[5-[(4-bromo-2-carboxyanilino)-oxomethyl]-3-pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[5-[(4-bromo-2-carboxyphenyl)carbamoyl]pyridine-3-carbonyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[5-[(4-bromo-2-carboxy-phenyl)carbamoyl]nicotinoyl]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(=CN=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(=CN=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O

InChI

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