2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanenitrile

Systemtic Name: 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]ethanenitrile Openeye Name: 2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]acetonitrile CAS Name: 2-[5-(3,4-dimethoxyphenyl)-3-isoxazolyl]acetonitrile IUPAC Name: 2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]acetonitrile Traditional Name: 2-[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]acetonitrile Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)CC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)CC#N)OC

InChI

InChI=1S/C13H12N2O3/c1-16-11-4-3-9(7-13(11)17-2)12-8-10(5-6-14)15-18-12/h3-4,7-8H,5H2,1-2H3