4-[[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]methyl]benzoic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H14BrN3O3/c1-8-11(15)12(17-18(8)2)13(19)16-7-9-3-5-10(6-4-9)14(20)21/h3-6H,7H2,1-2H3,(H,16,19)(H,20,21)