3-[[3-bromanyl-6-(1,2,4-triazol-4-yl)pyridin-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[3-bromanyl-6-(1,2,4-triazol-4-yl)pyridin-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-bromo-6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-bromo-6-(1,2,4-triazol-4-yl)-2-pyridinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-bromo-6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-bromo-6-(1,2,4-triazol-4-yl)picolinoyl]amino]benzoic acid Formula: C15H10BrN5O3 MolecularWeight: 388.1756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=N2)N3C=NN=C3)Br)C(=O)O

InChI

InChI=1S/C15H10BrN5O3/c16-11-4-5-12(21-7-17-18-8-21)20-13(11)14(22)19-10-3-1-2-9(6-10)15(23)24/h1-8H,(H,19,22)(H,23,24)