4-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(4-bromanyl-2,5-dimethyl-pyrazol-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(4-bromo-2,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-bromo-2,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-bromo-2,5-dimethyl-pyrazole-3-carbonyl)amino]benzoic acid Formula: C13H12BrN3O3 MolecularWeight: 338.15668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Br)C(=O)NC2=CC=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=NN(C(=C1Br)C(=O)NC2=CC=C(C=C2)C(=O)O)C

InChI

InChI=1S/C13H12BrN3O3/c1-7-10(14)11(17(2)16-7)12(18)15-9-5-3-8(4-6-9)13(19)20/h3-6H,1-2H3,(H,15,18)(H,19,20)