4-(3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 4-(3-oxidanylidene-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzenecarbonitrile; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 4-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile; 2,2,2-trifluoroacetic acid CAS Name: 4-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile; 2,2,2-trifluoroacetic acid IUPAC Name: 4-(3-oxo-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile; 2,2,2-trifluoroacetic acid Traditional Name: 4-(3-keto-4-oxa-2,8-diazaspiro[4.5]decan-2-yl)benzonitrile; 2,2,2-trifluoroacetic acid Formula: C16H16F3N3O4 MolecularWeight: 371.31115

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC12CN(C(=O)O2)C3=CC=C(C=C3)C#N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1CNCCC12CN(C(=O)O2)C3=CC=C(C=C3)C#N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C14H15N3O2.C2HF3O2/c15-9-11-1-3-12(4-2-11)17-10-14(19-13(17)18)5-7-16-8-6-14;3-2(4,5)1(6)7/h1-4,16H,5-8,10H2;(H,6,7)