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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C(=O)N1CCCCC1)OC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C(C#N)C(=O)N1CCCCC1)OC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H21ClF3N3O6/c1-14(22(32)17(13-29)23(33)30-9-3-2-4-10-30)36-21-12-16(6-7-19(21)31(34)35)37-20-8-5-15(11-18(20)25)24(26,27)28/h5-8,11-12,14,17H,2-4,9-10H2,1H3