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

Systemtic Name: 2-[(3-bromanyl-1-methyl-pyrazol-4-yl)carbonylamino]benzoate Openeye Name: 2-[(3-bromo-1-methyl-pyrazole-4-carbonyl)amino]benzoate CAS Name: 2-[[(3-bromo-1-methyl-4-pyrazolyl)-oxomethyl]amino]benzoate IUPAC Name: 2-[(3-bromo-1-methylpyrazole-4-carbonyl)amino]benzoate Traditional Name: 2-[(3-bromo-1-methyl-pyrazole-4-carbonyl)amino]benzoate Formula: C12H9BrN3O3- MolecularWeight: 323.12216

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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)/p-1