1-(4-fluoranyl-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea

Systemtic Name: 1-(4-fluoranyl-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Openeye Name: 1-(4-fluoro-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea CAS Name: 1-(4-fluoro-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea IUPAC Name: 1-(4-fluoro-3-nitrophenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Traditional Name: 1-(4-fluoro-3-nitro-phenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea Formula: C15H9F4N3O5 MolecularWeight: 387.242673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)OC(O2)(C(F)(F)F)NC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C15H9F4N3O5/c16-9-6-5-8(7-10(9)22(24)25)20-13(23)21-15(14(17,18)19)26-11-3-1-2-4-12(11)27-15/h1-7H,(H2,20,21,23)