1,3-dimethyl-5-phenoxy-pyrazole-4-carbonitrile

Systemtic Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carbonitrile Openeye Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carbonitrile CAS Name: 1,3-dimethyl-5-phenoxy-4-pyrazolecarbonitrile IUPAC Name: 1,3-dimethyl-5-phenoxypyrazole-4-carbonitrile Traditional Name: 1,3-dimethyl-5-phenoxy-pyrazole-4-carbonitrile Formula: C12H11N3O MolecularWeight: 213.23524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)OC2=CC=CC=C2)C

Isomeric SMILES

CC1=NN(C(=C1C#N)OC2=CC=CC=C2)C

InChI

InChI=1S/C12H11N3O/c1-9-11(8-13)12(15(2)14-9)16-10-6-4-3-5-7-10/h3-7H,1-2H3