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

Systemtic Name: 4-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-2-morpholin-4-ylcarbonyl-3-oxidanylidene-pentanenitrile Openeye Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-2-(morpholine-4-carbonyl)-3-oxo-pentanenitrile CAS Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]-2-[4-morpholinyl(oxo)methyl]-3-oxopentanenitrile IUPAC Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenoxy]-2-(morpholine-4-carbonyl)-3-oxopentanenitrile Traditional Name: 4-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenoxy]-3-keto-2-(morpholine-4-carbonyl)valeronitrile Formula: C23H19ClF3N3O7 MolecularWeight: 541.86107

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C#N)C(=O)N1CCOCC1)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)N1CCOCC1)OC2=C(C=CC(=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClF3N3O7/c1-13(21(31)16(12-28)22(32)29-6-8-35-9-7-29)36-20-11-15(3-4-18(20)30(33)34)37-19-5-2-14(10-17(19)24)23(25,26)27/h2-5,10-11,13,16H,6-9H2,1H3