(4-azanyl-3-nitro-phenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

Systemtic Name: (4-azanyl-3-nitro-phenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone Openeye Name: (4-amino-3-nitro-phenyl)-[3-(trifluoromethyl)-1-piperidyl]methanone CAS Name: (4-amino-3-nitrophenyl)-[3-(trifluoromethyl)-1-piperidinyl]methanone IUPAC Name: (4-amino-3-nitrophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone Traditional Name: (4-amino-3-nitro-phenyl)-[3-(trifluoromethyl)piperidino]methanone Formula: C13H14F3N3O3 MolecularWeight: 317.26377

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C13H14F3N3O3/c14-13(15,16)9-2-1-5-18(7-9)12(20)8-3-4-10(17)11(6-8)19(21)22/h3-4,6,9H,1-2,5,7,17H2