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

Systemtic Name: 2-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C22H14ClFN3O5- MolecularWeight: 454.815063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl)[O-]

InChI

InChI=1S/C22H15ClFN3O5/c1-2-31-20-10-15(27(29)30)7-12(21(20)28)11-25-14-4-6-19-18(9-14)26-22(32-19)16-5-3-13(24)8-17(16)23/h3-11,28H,2H2,1H3/p-1