2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[2-morpholino-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[2-morpholino-5-(trifluoromethyl)phenyl]iminomethyl]-6-nitro-phenolate Formula: C25H21F3N3O4- MolecularWeight: 484.44715

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C25H22F3N3O4/c26-25(27,28)20-6-7-22(30-8-10-35-11-9-30)21(15-20)29-16-19-13-18(12-17-4-2-1-3-5-17)14-23(24(19)32)31(33)34/h1-7,13-16,32H,8-12H2/p-1