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

Systemtic Name: 2-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Openeye Name: 2-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate CAS Name: 2-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate IUPAC Name: 2-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitrophenolate Traditional Name: 2-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4,6-dinitro-phenolate Formula: C20H9ClIN4O6- MolecularWeight: 563.66613

Click to see the large picture

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=CC(=C4)I)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=CC(=C4)I)Cl

InChI

InChI=1S/C20H10ClIN4O6/c21-15-3-1-11(22)6-14(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