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

Systemtic Name: 2-[[2-(2-chloranyl-4-fluoranyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[2-(2-chloro-4-fluoro-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C21H12ClFN3O4- MolecularWeight: 424.789083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C21H13ClFN3O4/c1-11-6-15(26(28)29)7-12(20(11)27)10-24-14-3-5-19-18(9-14)25-21(30-19)16-4-2-13(23)8-17(16)22/h2-10,27H,1H3/p-1