4-chloranyl-2-[3-iodanyl-1-(1,2-oxazol-5-yl)propoxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[3-iodanyl-1-(1,2-oxazol-5-yl)propoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-(3-iodo-1-isoxazol-5-yl-propoxy)benzonitrile CAS Name: 4-chloro-2-[3-iodo-1-(5-isoxazolyl)propoxy]benzonitrile IUPAC Name: 4-chloro-2-[3-iodo-1-(1,2-oxazol-5-yl)propoxy]benzonitrile Traditional Name: 4-chloro-2-(3-iodo-1-isoxazol-5-yl-propoxy)benzonitrile Formula: C13H10ClIN2O2 MolecularWeight: 388.58817

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OC(CCI)C2=CC=NO2)C#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)OC(CCI)C2=CC=NO2)C#N

InChI

InChI=1S/C13H10ClIN2O2/c14-10-2-1-9(8-16)13(7-10)18-11(3-5-15)12-4-6-17-19-12/h1-2,4,6-7,11H,3,5H2