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

Systemtic Name: 3-[[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-(3-bromophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-(3-bromophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(3-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(=CC=C3)Br)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

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

InChI

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