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

Systemtic Name: 2-(4-chloranyl-3-nitro-phenyl)-4-[(3-iodanyl-5-methoxy-4-propoxy-phenyl)methylidene]-1,3-oxazol-5-one Openeye Name: 2-(4-chloro-3-nitro-phenyl)-4-[(3-iodo-5-methoxy-4-propoxy-phenyl)methylene]oxazol-5-one CAS Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-5-oxazolone IUPAC Name: 2-(4-chloro-3-nitrophenyl)-4-[(3-iodo-5-methoxy-4-propoxyphenyl)methylidene]-1,3-oxazol-5-one Traditional Name: 2-(4-chloro-3-nitro-phenyl)-4-(3-iodo-5-methoxy-4-propoxy-benzylidene)-2-oxazolin-5-one Formula: C20H16ClIN2O6 MolecularWeight: 542.70831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1I)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1I)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C20H16ClIN2O6/c1-3-6-29-18-14(22)7-11(9-17(18)28-2)8-15-20(25)30-19(23-15)12-4-5-13(21)16(10-12)24(26)27/h4-5,7-10H,3,6H2,1-2H3