2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanenitrile

Systemtic Name: 2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanenitrile Openeye Name: 2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile CAS Name: 2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile IUPAC Name: 2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile Traditional Name: 2-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NNC(=C2)CC#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NNC(=C2)CC#N

InChI

InChI=1S/C12H11N3O/c1-16-11-4-2-3-9(7-11)12-8-10(5-6-13)14-15-12/h2-4,7-8H,5H2,1H3,(H,14,15)