4-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)acetyl]amino]benzoic acid Formula: C14H14BrN3O3 MolecularWeight: 352.18326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=C(C=C2)C(=O)O)C)Br

InChI

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