2-[(3-bromanyl-1-methyl-pyrazol-4-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(3-bromanyl-1-methyl-pyrazol-4-yl)carbonylamino]benzoic acid Openeye Name: 2-[(3-bromo-1-methyl-pyrazole-4-carbonyl)amino]benzoic acid CAS Name: 2-[[(3-bromo-1-methyl-4-pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(3-bromo-1-methylpyrazole-4-carbonyl)amino]benzoic acid Traditional Name: 2-[(3-bromo-1-methyl-pyrazole-4-carbonyl)amino]benzoic acid Formula: C12H10BrN3O3 MolecularWeight: 324.1301

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)Br)C(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CN1C=C(C(=N1)Br)C(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H10BrN3O3/c1-16-6-8(10(13)15-16)11(17)14-9-5-3-2-4-7(9)12(18)19/h2-6H,1H3,(H,14,17)(H,18,19)