(3R,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid

Systemtic Name: (3R,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid Openeye Name: (3R,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid CAS Name: (3R,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid IUPAC Name: (3R,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid Traditional Name: (3R,4R)-2-phenyl-5-(trifluoromethyl)-2-pyrazoline-3,4-dicarboxylic acid Formula: C12H9F3N2O4 MolecularWeight: 302.20607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(C(C(=N2)C(F)(F)F)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2[C@H]([C@H](C(=N2)C(F)(F)F)C(=O)O)C(=O)O

InChI

InChI=1S/C12H9F3N2O4/c13-12(14,15)9-7(10(18)19)8(11(20)21)17(16-9)6-4-2-1-3-5-6/h1-5,7-8H,(H,18,19)(H,20,21)/t7-,8-/m1/s1