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

Systemtic Name: N-(2-methoxyethyl)-5-nitro-3-oxidanyl-2-[3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-imine Openeye Name: 3-hydroxy-N-(2-methoxyethyl)-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine CAS Name: 3-hydroxy-N-(2-methoxyethyl)-5-nitro-2-[3-(trifluoromethyl)phenyl]-4-triazolimine IUPAC Name: 3-hydroxy-N-(2-methoxyethyl)-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine Traditional Name: [3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-ylidene]-(2-methoxyethyl)amine Formula: C12H12F3N5O4 MolecularWeight: 347.24999

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Descriptors Computed from Structure

Canonical SMILES:

COCCN=C1C(=NN(N1O)C2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COCCN=C1C(=NN(N1O)C2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N5O4/c1-24-6-5-16-10-11(20(22)23)17-18(19(10)21)9-4-2-3-8(7-9)12(13,14)15/h2-4,7,21H,5-6H2,1H3