[2,2,2-tris(fluoranyl)-1-(1-methylimidazol-2-yl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2,2,2-tris(fluoranyl)-1-(1-methylimidazol-2-yl)ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2,2,2-trifluoro-1-(1-methyl-2-imidazolyl)ethyl] ester IUPAC Name: [2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2,2,2-trifluoro-1-(1-methylimidazol-2-yl)ethyl] ester Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C(F)(F)F)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1C(C(F)(F)F)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H19F3N4O4/c1-23-10-7-22-16(23)15(18(19,20)21)29-17(26)12-5-6-13(14(11-12)25(27)28)24-8-3-2-4-9-24/h5-7,10-11,15H,2-4,8-9H2,1H3