4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(4-bromophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-(4-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid Formula: C23H16BrN3O3 MolecularWeight: 462.29544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Br)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H16BrN3O3/c24-17-10-6-15(7-11-17)21-20(14-27(26-21)19-4-2-1-3-5-19)22(28)25-18-12-8-16(9-13-18)23(29)30/h1-14H,(H,25,28)(H,29,30)