N-(4-bromophenyl)-5-nitro-3-oxidanyl-2-[3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-imine

Systemtic Name: N-(4-bromophenyl)-5-nitro-3-oxidanyl-2-[3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-imine Openeye Name: N-(4-bromophenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine CAS Name: N-(4-bromophenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]-4-triazolimine IUPAC Name: N-(4-bromophenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine Traditional Name: (4-bromophenyl)-[3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-ylidene]amine Formula: C15H9BrF3N5O3 MolecularWeight: 444.16287

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2N=C(C(=NC3=CC=C(C=C3)Br)N2O)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2N=C(C(=NC3=CC=C(C=C3)Br)N2O)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H9BrF3N5O3/c16-10-4-6-11(7-5-10)20-13-14(24(26)27)21-22(23(13)25)12-3-1-2-9(8-12)15(17,18)19/h1-8,25H