ethyl 2-[(E)-1-chloranylbutylideneamino]oxy-3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate

Systemtic Name: ethyl 2-[(E)-1-chloranylbutylideneamino]oxy-3,3,3-tris(fluoranyl)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate Openeye Name: ethyl 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate CAS Name: 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propanoate Traditional Name: 2-[(E)-1-chlorobutylideneamino]oxy-3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]propionic acid ethyl ester Formula: C17H18ClF6N3O4 MolecularWeight: 477.785939

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOC(C(=O)OCC)(C(F)(F)F)NC(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl

Isomeric SMILES

CCC/C(=N\OC(C(=O)OCC)(C(F)(F)F)NC(=O)NC1=CC=CC(=C1)C(F)(F)F)/Cl

InChI

InChI=1S/C17H18ClF6N3O4/c1-3-6-12(18)27-31-15(17(22,23)24,13(28)30-4-2)26-14(29)25-11-8-5-7-10(9-11)16(19,20)21/h5,7-9H,3-4,6H2,1-2H3,(H2,25,26,29)/b27-12+