2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methoxy-phosphoryl]ethanenitrile

Systemtic Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methoxy-phosphoryl]ethanenitrile Openeye Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methoxy-phosphoryl]acetonitrile CAS Name: 2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)-methoxyphosphoryl]acetonitrile IUPAC Name: 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)-methoxyphosphoryl]acetonitrile Traditional Name: 2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-methoxy-phosphoryl]acetonitrile Formula: C14H16N3O2P MolecularWeight: 289.269501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)P(=O)(CC#N)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)P(=O)(CC#N)OC

InChI

InChI=1S/C14H16N3O2P/c1-11-14(20(18,19-3)10-9-15)12(2)17(16-11)13-7-5-4-6-8-13/h4-8H,10H2,1-3H3