ethyl (3aS,6aS)-4,6-bis(oxidanylidene)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate

Systemtic Name: ethyl (3aS,6aS)-4,6-bis(oxidanylidene)-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Openeye Name: ethyl (3aS,6aS)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate CAS Name: (3aS,6aS)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3aS,6aS)-4,6-dioxo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate Traditional Name: (3aS,6aS)-4,6-diketo-5-[2-(trifluoromethyl)phenyl]-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid ethyl ester Formula: C15H12F3N3O4 MolecularWeight: 355.26869

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2C1C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=NN[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C15H12F3N3O4/c1-2-25-14(24)11-9-10(19-20-11)13(23)21(12(9)22)8-6-4-3-5-7(8)15(16,17)18/h3-6,9-10,19H,2H2,1H3/t9-,10-/m0/s1