2,3-dihydro-1H-isoindole-5-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2,3-dihydro-1H-isoindole-5-carbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: isoindoline-5-carbonitrile; 2,2,2-trifluoroacetic acid CAS Name: 2,3-dihydro-1H-isoindole-5-carbonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 2,3-dihydro-1H-isoindole-5-carbonitrile; 2,2,2-trifluoroacetic acid Traditional Name: isoindoline-5-carbonitrile; 2,2,2-trifluoroacetic acid Formula: C11H9F3N2O2 MolecularWeight: 258.19657

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H8N2.C2HF3O2/c10-4-7-1-2-8-5-11-6-9(8)3-7;3-2(4,5)1(6)7/h1-3,11H,5-6H2;(H,6,7)