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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H12BrN3O3/c1-2-17-11(10(14)7-15-17)12(18)16-9-5-3-4-8(6-9)13(19)20/h3-7H,2H2,1H3,(H,16,18)(H,19,20)