5-[5-(bromomethyl)-1-ethanoyl-3-methyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile

Systemtic Name: 5-[5-(bromomethyl)-1-ethanoyl-3-methyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Openeye Name: 5-[1-acetyl-5-(bromomethyl)-3-methyl-pyrazol-4-yl]oxybenzene-1,3-dicarbonitrile CAS Name: 5-[[1-acetyl-5-(bromomethyl)-3-methyl-4-pyrazolyl]oxy]benzene-1,3-dicarbonitrile IUPAC Name: 5-[1-acetyl-5-(bromomethyl)-3-methylpyrazol-4-yl]oxybenzene-1,3-dicarbonitrile Traditional Name: 5-[1-acetyl-5-(bromomethyl)-3-methyl-pyrazol-4-yl]oxyisophthalonitrile Formula: C15H11BrN4O2 MolecularWeight: 359.17744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1OC2=CC(=CC(=C2)C#N)C#N)CBr)C(=O)C

Isomeric SMILES

CC1=NN(C(=C1OC2=CC(=CC(=C2)C#N)C#N)CBr)C(=O)C

InChI

InChI=1S/C15H11BrN4O2/c1-9-15(14(6-16)20(19-9)10(2)21)22-13-4-11(7-17)3-12(5-13)8-18/h3-5H,6H2,1-2H3