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

Systemtic Name: 2-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C21H12ClFN3O5- MolecularWeight: 440.788483

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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=C(C=C(C=C4)F)Cl)[O-]

Isomeric SMILES

COC1=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/C21H13ClFN3O5/c1-30-19-9-14(26(28)29)6-11(20(19)27)10-24-13-3-5-18-17(8-13)25-21(31-18)15-4-2-12(23)7-16(15)22/h2-10,27H,1H3/p-1