1-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-(1-oxidobenzofurazan-1-ium-5-yl)-3-[3-(trifluoromethyl)phenyl]urea Formula: C14H9F3N4O3 MolecularWeight: 338.24147

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC3=NO[N+](=C3C=C2)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC3=NO[N+](=C3C=C2)[O-])C(F)(F)F

InChI

InChI=1S/C14H9F3N4O3/c15-14(16,17)8-2-1-3-9(6-8)18-13(22)19-10-4-5-12-11(7-10)20-24-21(12)23/h1-7H,(H2,18,19,22)