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

Systemtic Name: N-(4-ethylphenyl)-5-nitro-3-oxidanyl-2-[3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-imine Openeye Name: N-(4-ethylphenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine CAS Name: N-(4-ethylphenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]-4-triazolimine IUPAC Name: N-(4-ethylphenyl)-3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-imine Traditional Name: (4-ethylphenyl)-[3-hydroxy-5-nitro-2-[3-(trifluoromethyl)phenyl]triazol-4-ylidene]amine Formula: C17H14F3N5O3 MolecularWeight: 393.31997

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2C(=NN(N2O)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N5O3/c1-2-11-6-8-13(9-7-11)21-15-16(25(27)28)22-23(24(15)26)14-5-3-4-12(10-14)17(18,19)20/h3-10,26H,2H2,1H3