4-[2-[(3R,3aR)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[(3R,3aR)-3-oxidanyl-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-[(3R,3aR)-3-hydroxy-3-(trifluoromethyl)-3a,4,5,6-tetrahydro-1H-indazol-2-yl]-2-keto-ethoxy]benzonitrile Formula: C17H16F3N3O3 MolecularWeight: 367.32245

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C2C(C1)C(N(N2)C(=O)COC3=CC=C(C=C3)C#N)(C(F)(F)F)O

Isomeric SMILES

C1CC=C2[C@@H](C1)[C@](N(N2)C(=O)COC3=CC=C(C=C3)C#N)(C(F)(F)F)O

InChI

InChI=1S/C17H16F3N3O3/c18-17(19,20)16(25)13-3-1-2-4-14(13)22-23(16)15(24)10-26-12-7-5-11(9-21)6-8-12/h4-8,13,22,25H,1-3,10H2/t13-,16-/m1/s1