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

Systemtic Name: 2-[3-azido-1-(1,2-oxazol-3-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-(3-azido-1-isoxazol-3-yl-propoxy)-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[3-azido-1-(3-isoxazolyl)propoxy]-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[3-azido-1-(1,2-oxazol-3-yl)propoxy]-4-chloro-5-fluorobenzonitrile Traditional Name: 2-(3-azido-1-isoxazol-3-yl-propoxy)-4-chloro-5-fluoro-benzonitrile Formula: C13H9ClFN5O2 MolecularWeight: 321.694263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CON=C1C(CCN=[N+]=[N-])OC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

C1=CON=C1C(CCN=[N+]=[N-])OC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C13H9ClFN5O2/c14-9-6-13(8(7-16)5-10(9)15)22-12(1-3-18-20-17)11-2-4-21-19-11/h2,4-6,12H,1,3H2