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

Systemtic Name: 4-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]benzoic acid CAS Name: 4-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-bromo-2-methyl-pyrazole-3-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=C(C=C2)C(=O)O

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

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