1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-pyrazole-4-carbonitrile

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-pyrazole-4-carbonitrile Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-pyrazole-4-carbonitrile CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-4-pyrazolecarbonitrile IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethylpyrazole-4-carbonitrile Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-pyrazole-4-carbonitrile Formula: C14H13N3O2 MolecularWeight: 255.27192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC3=C(C=C2)OCCO3)C)C#N

Isomeric SMILES

CC1=C(C(=NN1C2=CC3=C(C=C2)OCCO3)C)C#N

InChI

InChI=1S/C14H13N3O2/c1-9-12(8-15)10(2)17(16-9)11-3-4-13-14(7-11)19-6-5-18-13/h3-4,7H,5-6H2,1-2H3