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

Systemtic Name: 3-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzenecarbonitrile Openeye Name: 3-[4-(hydroxymethyl)-2,5-dimethyl-pyrazol-3-yl]oxybenzonitrile CAS Name: 3-[[4-(hydroxymethyl)-2,5-dimethyl-3-pyrazolyl]oxy]benzonitrile IUPAC Name: 3-[4-(hydroxymethyl)-2,5-dimethylpyrazol-3-yl]oxybenzonitrile Traditional Name: 3-(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(=C2)C#N)C

Isomeric SMILES

CC1=NN(C(=C1CO)OC2=CC=CC(=C2)C#N)C

InChI

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