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

Systemtic Name: 2-methoxy-4-nitro-6-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]iminomethyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Traditional Name: 2-methoxy-4-nitro-6-[[2-piperidino-5-(trifluoromethyl)phenyl]iminomethyl]phenolate Formula: C20H19F3N3O4- MolecularWeight: 422.37777

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C=CC(=C2)C(F)(F)F)N3CCCCC3)[O-]

InChI

InChI=1S/C20H20F3N3O4/c1-30-18-11-15(26(28)29)9-13(19(18)27)12-24-16-10-14(20(21,22)23)5-6-17(16)25-7-3-2-4-8-25/h5-6,9-12,27H,2-4,7-8H2,1H3/p-1