dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate

Systemtic Name: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate Openeye Name: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate CAS Name: (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3S,4R)-2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazole-3,4-dicarboxylate Traditional Name: (3S,4R)-2-phenyl-5-(trifluoromethyl)-2-pyrazoline-3,4-dicarboxylic acid dimethyl ester Formula: C14H13F3N2O4 MolecularWeight: 330.25923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(N=C1C(F)(F)F)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)[C@@H]1[C@H](N(N=C1C(F)(F)F)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C14H13F3N2O4/c1-22-12(20)9-10(13(21)23-2)19(8-6-4-3-5-7-8)18-11(9)14(15,16)17/h3-7,9-10H,1-2H3/t9-,10+/m1/s1