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

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-phenylpyrazole-3,4-dicarboxylic acid Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-5-phenyl-pyrazole-3,4-dicarboxylic acid Formula: C18H10ClF3N2O4 MolecularWeight: 410.73121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H10ClF3N2O4/c19-12-7-6-10(8-11(12)18(20,21)22)24-15(9-4-2-1-3-5-9)13(16(25)26)14(23-24)17(27)28/h1-8H,(H,25,26)(H,27,28)