2-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzenecarbonitrile

Systemtic Name: 2-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzenecarbonitrile Openeye Name: 2-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzonitrile CAS Name: 2-[[4-(hydroxymethyl)-2,5-dimethyl-3-pyrazolyl]oxy]benzonitrile IUPAC Name: 2-[4-(hydroxymethyl)-2,5-dimethylpyrazol-3-yl]oxybenzonitrile Traditional Name: 2-(2,5-dimethyl-4-methylol-pyrazol-3-yl)oxybenzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CO)OC2=CC=CC=C2C#N)C

Isomeric SMILES

CC1=NN(C(=C1CO)OC2=CC=CC=C2C#N)C

InChI

InChI=1S/C13H13N3O2/c1-9-11(8-17)13(16(2)15-9)18-12-6-4-3-5-10(12)7-14/h3-6,17H,8H2,1-2H3