5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-nitrophenoxy)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile

Systemtic Name: 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-(2-nitrophenoxy)-3-oxidanylidene-2-piperidin-1-ylcarbonyl-pentanenitrile Openeye Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitrophenoxy)-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitrophenoxy)-3-oxo-2-[oxo(1-piperidinyl)methyl]pentanenitrile IUPAC Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(2-nitrophenoxy)-3-oxo-2-(piperidine-1-carbonyl)pentanenitrile Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-3-keto-2-(2-nitrophenoxy)-2-(piperidine-1-carbonyl)valeronitrile Formula: C24H21ClF3N3O6 MolecularWeight: 539.88825

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C#N)(C(=O)CCOC2=C(C=C(C=C2)C(F)(F)F)Cl)OC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C(C#N)(C(=O)CCOC2=C(C=C(C=C2)C(F)(F)F)Cl)OC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H21ClF3N3O6/c25-17-14-16(24(26,27)28)8-9-19(17)36-13-10-21(32)23(15-29,22(33)30-11-4-1-5-12-30)37-20-7-3-2-6-18(20)31(34)35/h2-3,6-9,14H,1,4-5,10-13H2