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

Systemtic Name: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Openeye Name: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid CAS Name: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid IUPAC Name: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Traditional Name: 5-(4-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3,4-dicarboxylic acid Formula: C18H10F3N3O6 MolecularWeight: 421.28371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(C(=N2)C(=O)O)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C18H10F3N3O6/c19-18(20,21)10-2-1-3-12(8-10)23-15(9-4-6-11(7-5-9)24(29)30)13(16(25)26)14(22-23)17(27)28/h1-8H,(H,25,26)(H,27,28)