2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C21H13FN3O5- MolecularWeight: 406.343423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F)[O-]

InChI

InChI=1S/C21H14FN3O5/c1-29-19-10-14(25(27)28)8-12(20(19)26)11-23-13-6-7-18-17(9-13)24-21(30-18)15-4-2-3-5-16(15)22/h2-11,26H,1H3/p-1