5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid

Systemtic Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Openeye Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid CAS Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid IUPAC Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Traditional Name: 5-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Formula: C18H10BrF3N2O4 MolecularWeight: 455.18221

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C(C(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C(C(=NN2C3=CC=CC(=C3)C(F)(F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C18H10BrF3N2O4/c19-11-5-1-3-9(7-11)15-13(16(25)26)14(17(27)28)23-24(15)12-6-2-4-10(8-12)18(20,21)22/h1-8H,(H,25,26)(H,27,28)