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

Systemtic Name: 2-[[4-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]benzoic acid CAS Name: 2-[[[4-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]benzoic acid Traditional Name: 2-[[4-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]benzoyl]amino]benzoic acid Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)O)C)Br

InChI

InChI=1S/C20H18BrN3O3/c1-12-18(21)13(2)24(23-12)11-14-7-9-15(10-8-14)19(25)22-17-6-4-3-5-16(17)20(26)27/h3-10H,11H2,1-2H3,(H,22,25)(H,26,27)