2-bromanyl-4-nitro-6-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-bromanyl-4-nitro-6-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Openeye Name: 2-bromo-4-nitro-6-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate CAS Name: 2-bromo-4-nitro-6-[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate IUPAC Name: 2-bromo-4-nitro-6-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Traditional Name: 2-bromo-4-nitro-6-[[2-piperidino-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Formula: C19H16BrF3N3O3- MolecularWeight: 471.24785

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N=CC3=CC(=CC(=C3[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrF3N3O3/c20-15-10-14(26(28)29)8-12(18(15)27)11-24-16-9-13(19(21,22)23)4-5-17(16)25-6-2-1-3-7-25/h4-5,8-11,27H,1-3,6-7H2/p-1