4-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]benzoate

Systemtic Name: 4-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]benzoate Openeye Name: 4-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]benzoate CAS Name: 4-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]benzoate Traditional Name: 4-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]benzoate Formula: C13H11BrN3O3- MolecularWeight: 337.14874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NC2=CC=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NC2=CC=C(C=C2)C(=O)[O-])Br

InChI

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