1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate

Systemtic Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Openeye Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate CAS Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)-4-piperidinecarboximidate IUPAC Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Traditional Name: 1-[2-nitro-4-(trifluoromethyl)phenyl]-N-(1H-1,2,4-triazol-5-yl)piperidine-4-carboximidate Formula: C15H14F3N6O3- MolecularWeight: 383.30527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=NC2=NC=NN2)[O-])C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=NC2=NC=NN2)[O-])C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H15F3N6O3/c16-15(17,18)10-1-2-11(12(7-10)24(26)27)23-5-3-9(4-6-23)13(25)21-14-19-8-20-22-14/h1-2,7-9H,3-6H2,(H2,19,20,21,22,25)/p-1