4-[4-(3-oxidanylpropyl)-1,2-oxazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-oxidanylpropyl)-1,2-oxazol-5-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-hydroxypropyl)isoxazol-5-yl]benzonitrile CAS Name: 4-[4-(3-hydroxypropyl)-5-isoxazolyl]benzonitrile IUPAC Name: 4-[4-(3-hydroxypropyl)-1,2-oxazol-5-yl]benzonitrile Traditional Name: 4-[4-(3-hydroxypropyl)isoxazol-5-yl]benzonitrile Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=C(C=NO2)CCCO

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=C(C=NO2)CCCO

InChI

InChI=1S/C13H12N2O2/c14-8-10-3-5-11(6-4-10)13-12(2-1-7-16)9-15-17-13/h3-6,9,16H,1-2,7H2