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

Systemtic Name: 2-[[2-(2-chloranyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Openeye Name: 2-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate IUPAC Name: 2-[[2-(2-chloro-5-iodophenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[[2-(2-chloro-5-iodo-phenyl)-1,3-benzoxazol-5-yl]iminomethyl]-6-methoxy-4-nitro-phenolate Formula: C21H12ClIN3O5- MolecularWeight: 548.69455

Click to see the large picture

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=CC(=C4)I)Cl)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H13ClIN3O5/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)15-7-12(23)2-4-16(15)22/h2-10,27H,1H3/p-1