1-methyl-3-(3-nitrophenyl)-1-[2-oxidanyl-3-[4-(trifluoromethyl)phenoxy]propyl]urea

Systemtic Name: 1-methyl-3-(3-nitrophenyl)-1-[2-oxidanyl-3-[4-(trifluoromethyl)phenoxy]propyl]urea Openeye Name: 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-(3-nitrophenyl)urea CAS Name: 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-(3-nitrophenyl)urea IUPAC Name: 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-(3-nitrophenyl)urea Traditional Name: 1-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-1-methyl-3-(3-nitrophenyl)urea Formula: C18H18F3N3O5 MolecularWeight: 413.34783

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(COC1=CC=C(C=C1)C(F)(F)F)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CC(COC1=CC=C(C=C1)C(F)(F)F)O)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5/c1-23(17(26)22-13-3-2-4-14(9-13)24(27)28)10-15(25)11-29-16-7-5-12(6-8-16)18(19,20)21/h2-9,15,25H,10-11H2,1H3,(H,22,26)