3-[3,5-diethyl-1-(hydroxymethyl)pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile

Systemtic Name: 3-[3,5-diethyl-1-(hydroxymethyl)pyrazol-4-yl]oxy-5-isocyano-benzenecarbonitrile Openeye Name: 3-[3,5-diethyl-1-(hydroxymethyl)pyrazol-4-yl]oxy-5-isocyano-benzonitrile CAS Name: 3-[[3,5-diethyl-1-(hydroxymethyl)-4-pyrazolyl]oxy]-5-isocyanobenzonitrile IUPAC Name: 3-[3,5-diethyl-1-(hydroxymethyl)pyrazol-4-yl]oxy-5-isocyanobenzonitrile Traditional Name: 3-(3,5-diethyl-1-methylol-pyrazol-4-yl)oxy-5-isocyano-benzonitrile Formula: C16H16N4O2 MolecularWeight: 296.32384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1CO)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

Isomeric SMILES

CCC1=C(C(=NN1CO)CC)OC2=CC(=CC(=C2)[N+]#[C-])C#N

InChI

InChI=1S/C16H16N4O2/c1-4-14-16(15(5-2)20(10-21)19-14)22-13-7-11(9-17)6-12(8-13)18-3/h6-8,21H,4-5,10H2,1-2H3