2-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate

Systemtic Name: 2-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C20H9ClFN4O6- MolecularWeight: 455.760063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])N=C(O2)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC2=C(C=C1N=CC3=CC(=CC(=C3[O-])[N+](=O)[O-])[N+](=O)[O-])N=C(O2)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C20H10ClFN4O6/c21-15-6-11(22)1-3-14(15)20-24-16-7-12(2-4-18(16)32-20)23-9-10-5-13(25(28)29)8-17(19(10)27)26(30)31/h1-9,27H/p-1