4,6-bis(oxidanylidene)-5-prop-2-ynyl-1-[3-(trifluoromethyloxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid

Systemtic Name: 4,6-bis(oxidanylidene)-5-prop-2-ynyl-1-[3-(trifluoromethyloxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Openeye Name: 4,6-dioxo-5-prop-2-ynyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid CAS Name: 4,6-dioxo-5-prop-2-ynyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid IUPAC Name: 4,6-dioxo-5-prop-2-ynyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Traditional Name: 4,6-diketo-5-propargyl-1-[3-(trifluoromethoxy)phenyl]-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3-carboxylic acid Formula: C17H13F3N2O5 MolecularWeight: 382.29073

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)OC(F)(F)F)C(=O)O

Isomeric SMILES

C#CCN1C(=O)C2C(C1=O)C(NC2C3=CC(=CC=C3)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C17H13F3N2O5/c1-2-6-22-14(23)10-11(15(22)24)13(16(25)26)21-12(10)8-4-3-5-9(7-8)27-17(18,19)20/h1,3-5,7,10-13,21H,6H2,(H,25,26)