2-(4-chloranyl-3-nitro-phenyl)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-1,3-oxazol-5-one

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-4-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-4-[(3-iodo-4,5-dimethoxy-phenyl)methylene]oxazol-5-one CAS Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-5-oxazolone IUPAC Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-4-(3-iodo-4,5-dimethoxy-benzylidene)-2-oxazolin-5-one Formula: C18H12ClIN2O6 MolecularWeight: 514.65515

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])I)OC

InChI

InChI=1S/C18H12ClIN2O6/c1-26-15-7-9(5-12(20)16(15)27-2)6-13-18(23)28-17(21-13)10-3-4-11(19)14(8-10)22(24)25/h3-8H,1-2H3